Curriculum Vitae

PERSONAL DETAILS

ASSOCIATE PROF. DR. VANNAJAN SANGHIRAN LEE


BIOGRAPHY
Asst. Prof. Dr. Vannajan Sanghiran Lee received her BSc (1994) in Chemistry from Chiang Mai University, Thailand and PhD (2001) in Pharmaceutical Sciences and Physical Chemistry from University of Missouri-Kansas City, USA under the scholarship from the Institute of Promotion and Development Science and Technology Project, Thailand. After that she received the Post Doctoral Scholarship (2002) from the Thailand Research Fund and worked at the Computational Chemistry Unit Cell (CCUC), Chulalongkorn University, Thailand. Presently, she is working as a lecturer and researcher in Computational Simulation and Modeling Laboratory (CSML), Department of Chemistry and Center for Innovation in Chemistry, Chiang Mai University, Chiang Mai, Thailand. In 2010, she has joined the school of pharmaceutical sciences, University Sains Malaysia as a visiting researcher. She has recently worked as a senior lecturer at Department of chemistry, University of Malaya. Her present research interest includes computer-aided molecular modeling and computational chemistry using Molecular Dynamics (MD), Monte Carlo Simulations (MC) and Quantum Mechanics (QM) in diverse research and development fields such as biomolecular/material design.
ADMINISTRATIVE DUTIES
(Role),(Level),(Duration)
  • ACS UM Student Chapters Advisor and Coordinator, University Malaya, 01/12/2021 to present
  • Deputy Head of Computational Chemistry Research Group, University Malaya, 01/01/2018 to present
  • DEPUTY HEAD, Faculty, 15/04/2020 to 31/12/2021
  • JKIT committee, Faculty, 01/01/2018 to 28/02/2021
  • ACS UM representative, National, 01/01/2018 to 31/12/2020
  • Deputy Head of Center of Theoretical and Computational Physics, University Malaya, 01/01/2018 to 31/12/2018
  • SUPERVISOR, National, 01/03/2013 to 01/01/2018
  • SUPERVISOR, University Malaya, 01/01/2012 to 01/01/2018
  • Committee member, Teaching Committee Unit (Physical Chemistry), Faculty, 01/01/2016 to 19/01/2017
  • Deputy Head of Center of Theoretical and Computational Physics, University Malaya, 01/01/2016 to 31/12/2016
  • DEPUTY HEAD, Faculty, 01/01/2014 to 31/12/2015
ACADEMIC QUALIFICATION
(Qualification),(Field),(Institution),(Year)
  • PhD (Chemistry), CHEMISTRY, UNIVERSITY OF MISSOURI, KANSAS CITY
  • BSc (Chemistry), CHEMISTRY, CHIANG MAI UNIVERSITY, THAILAND
MEMBERSHIPS
(Organisation),(Role),(Duration),(Level)
  • Americal Chemical Society, Representative, 2018 to 2020 (International)
SPECIALIZATION
(Area)
Area of Expertise
  • THEORETICAL CHEMISTRY (Computational Chemistry, Modeling and Simulations, Bioinformatics)
  • Research Interest
  • Theoretical and experimental study of ankyrin repeat molecule as molecular architecture for protein recognition (Molecular modeling and simulations, computational chemistry)
  • TEACHING
    (Course Title),(Level of Study),(Institution),(Academic Session)
    Teaching
  • SCES1101 - BASIC MATHEMATICS FOR CHEMISTRY, First Degree, UNIVERSITY MALAYA (2012/2013 - 1 )
  • SCES2437 - COMPUTATIONAL CHEMISTRY, First Degree, UNIVERSITY MALAYA (2012/2013 - 1 )
  • Teaching Activity
  • SID3003 - ADVANCED PHYSICAL CHEMISTRY, Bachelor/First Degree, University Malaya (2021)
  • SIC3015 - COMPUTATIONAL CHEMISTRY, Bachelor/First Degree, University Malaya (2021)
  • SIC3003 - PHYSICAL CHEMISTRY III, Bachelor/First Degree, University Malaya (2021)
  • PUBLICATIONS
    (Title of publication in APA style)
    WoS
    2021
    • Sukumaran, S. D., Nasir, S. B., Tee, J. T., Buckle, M. J. C., Othman, R., Adb Rahman, N., . . . Chee, C. F. (2021). Analogues of 2 '-hydroxychalcone with modified C4-substituents as the inhibitors against human acetylcholinesterase. Journal of Enzyme Inhibition and Medicinal Chemistry, 36(1), 130-137. doi: 10.1080/14756366.2020.1847100
    • Somboon, T., Mahalapbutr, P., Sanachai, K., Maitarad, P., Lee, V. S., Hannongbua, S., & Rungrotmongkol, T. (2021). Computational study on peptidomimetic inhibitors against SARS-CoV-2 main protease. Journal of Molecular Liquids, 322, 10. doi: 10.1016/j.molliq.2020.114999
    • Chanajaree, R., Sriuttha, M., Lee, V. S., & Wittayanarakul, K. (2021). Thermodynamics and kinetics of cationic/anionic dyes adsorption on cross-linked chitosan. Journal of Molecular Liquids, 322, 9. doi: 10.1016/j.molliq.2020.114507
    2020
    • Keyen, U., Nimmanpipug, P., Lee, V. S. (2020). Crystal structures and pressure-induced phase transformations of LiAlH4: A first-principles study. Aip Advances, 10(2), 8. doi: 10.1063/1.5142780
    Refereed Journals
    2020
    • Nimmanpipug, P; Lee, VS; Kruanopparatana, P; Yu, LD 2020. Geant4-DNA simulation of radiation effects in DNA on strand breaks from ultra-low-energy particles. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS (WoS)
    • Mahalapbutr, P; Lee, VS; Rungrotmongkol, T 2020. Binding Hotspot and Activation Mechanism of Maltitol and Lactitol toward the Human Sweet Taste Receptor. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY (WoS)
    • Mahendra, CK; Tan, LTH; Pusparajah, P; Htar, TT; Chuah, LH; Lee, VS; Low, LE; Tang, SY; Chan, KG; Goh, BH 2020. Detrimental Effects of UVB on Retinal Pigment Epithelial Cells and Its Role in Age-Related Macular Degeneration. OXIDATIVE MEDICINE AND CELLULAR LONGEVITY (WoS)
    • Nutho, B; Pengthaisong, S; Tankrathok, A; Lee, VS; Cairns, JKR; Rungrotmongkol, T; Hannongbua, S 2020. Structural Basis of Specific Glucoimidazole and Mannoimidazole Binding by Os3BGlu7. BIOMOLECULES (WoS)
    • Woon, KL; Wong, WS; Chanlek, N; Nakajima, H; Tunmee, S; Lee, VS; Ariffin, A; Songsiriritthigul, P 2020. Work function modification of PEDOT:PSS by mixing with barium acetylacetonate. RSC ADVANCES (WoS)
    • Lythell, E; Suardiaz, R; Hinchliffe, P; Hanpaibool, C; Visitsatthawong, S; Oliveira, ASF; Lang, EJM; Surawatanawong, P; Lee, VS; Rungrotmongkol, T; Fey, N; Spencer, J; Mulholland, AJ 2020. Resistance to the "last resort" antibiotic colistin: a single-zinc mechanism for phosphointermediate formation in MCR enzymes. CHEMICAL COMMUNICATIONS (WoS)
    • Abdullah, AA; Lee, YK; Chin, SP; Lim, SK; Lee, VS; Othman, R; Othman, S; Rahman, NA; Yusof, R; Heh, CH 2020. Discovery of Dengue Virus Inhibitors. Current Medicinal Chemistry, 27: 4945-5036. (WoS)
    • Adib Afandi Abdullah, Yean Kee Lee, Sek Peng Chin, See Khai Lim, Vannajan Sanghiran Lee, Rozana Othman, Shatrah Othman, Noorsaadah Abdul Rahman, Rohana Yusof and Choon Han Heh. (2020). Discovery of Dengue Virus Inhibitors, Current Medicinal Chemistry, 27: 4945-5036. (WoS)
    • Suwanhom, P; Nualnoi, T; Khongkow, P; Lee, VS; Lomlim, L 2020. Synthesis and evaluation of chromone-2-carboxamido-alkylamines as potent acetylcholinesterase inhibitors. MEDICINAL CHEMISTRY RESEARCH (WoS)
    • Keyen, U; Nimmanpipug, P; Lee, VS 2020. Crystal structures and pressure-induced phase transformations of LiAlH4: A first-principles study. AIP ADVANCES (WoS)
    • Somboon, T., Mahalapbutr, P., Sanachai, K., Maitarad, P., Lee, V. S., Hannongbua, S., & Rungrotmongkol, T. (2020). Computational study on peptidomimetic inhibitors against SARS-CoV-2 main protease. Journal of Molecular Liquids, 114999. (WoS)
    • Somboon, T., Mahalapbutr, P., Sanachai, K., Maitarad, P., Lee, V.S., Hannongbua, S. and Rungrotmongkol, T., 2020. Computational study on peptidomimetic inhibitors against SARS-CoV-2 main protease. Journal of Molecular Liquids, p.114999. (WoS)
    2019
    • Karim, H. A. A.; Rungrotmongkol, T.; Zain, S. M.; Rahman, N. A.; Tayapiwattana, C.; Lee, V. (2019). Designed antiviral ankyrin-A computational approach to combat HIV-1 via intracellular pathway by targeting the viral capsid of HIV-1. Journal of Molecular Liquids 277, 63-69. (WoS)
    • Gautam, V.; Chong, W. L.; Chin, S. P.; Zain, S. M.; Rahman, N. A.; Vao-soongnern, V.; Lee, V. S. (2018). Loop dynamics behind the affinity of DARPins towards ERK2: Molecular dynamics simulations (MDs) and elastic network model (ENM). Journal of Molecular Liquids 274, 612-620. (WoS)
    • Chiangraeng, N., Lee, V. S., & Nimmanpipug, P. (2019). Phase separation dynamics and morphologies prediction of PEO-b-PMMA copolymer by atomistic and mesoscopic simulations. Journal of Metals, Materials and Minerals, 28(2). (WoS)
    • Tee, HK; Tan, CW; Yogarajah, T; Lee, MHP; Chai, HJ; Hanapi, NA; Yusof, SR; Ong, KC; Lee, VS; Sam, IC; Chan, YF 2019. Electrostatic interactions at the five-fold axis alter heparin-binding phenotype and drive enterovirus A71 virulence in mice. PLOS PATHOGENS.  (Tier 1, Impact Factor = 6.158) (WoS)
    • Isa, DM; Chin, SP; Chong, WL; Zain, SM; Abd Rahman, N; Lee, VS 2019. Dynamics and binding interactions of peptide inhibitors of dengue virus entry. JOURNAL OF BIOLOGICAL PHYSICS (WoS)
    • Karim, HAA; Rungrotmongkol, T; Zain, SM; Abd Rahman, N; Tayapiwattana, C; Lee, V 2019. Designed antiviral ankyrin - A computational approach to combat HIV-1 via intracellular pathway by targeting the viral capsid of HIV-1. JOURNAL OF MOLECULAR LIQUIDS (WoS)
    • Gautam, V; Chong, WL; Chin, SP; Zain, SM; Rahman, NA; Vao-soongnern, V; Lee, VS 2019. Loop dynamics behind the affinity of DARPins towards ERK2: Molecular dynamics simulations (MDs) and elastic network model (ENM). JOURNAL OF MOLECULAR LIQUIDS.  (Tier 1, Impact Factor = 4.513) (WoS)
    • Gautam, V; Chong, WL; Chin, SP; Zain, SM; Rahman, NA; Vao-soongnern, V; Lee, VS 2019. Loop dynamics behind the affinity of DARPins towards ERK2: Molecular dynamics simulations (MDs) and elastic network model (ENM). JOURNAL OF MOLECULAR LIQUIDS.  (Tier 1, Impact Factor = 4.513) (WoS)
    • Chiangraeng, N; Lee, VS; Nimmanpipug, P 2019. Coarse-Grained Modelling and Temperature Effect on the Morphology of PS-b-PI Copolymer. POLYMERS.  (Tier 1, Impact Factor = 2.935) (WoS)
    • Chiangraeng, N; Lee, VS; Nimmanpipug, P 2019. Coarse-Grained Modelling and Temperature Effect on the Morphology of PS-b-PI Copolymer. POLYMERS.  (Tier 1, Impact Factor = 2.935) (WoS)
    • Seki, Y; Matsunaga, K; Ke, Y; Takebayashi, T; Ninoyu, M; Kakugawa, K; Lee, VS; Takahara, S 2019. Photo-induced Aggregation of Single-walled Carbon Nanotubes from Dispersion by Using a Photochromic Dispersant. JOURNAL OF PHOTOPOLYMER SCIENCE AND TECHNOLOGY.  (Tier 4, Impact Factor = 0.868) (WoS)
    • Woon, KL; Wong, WS; Chanlek, N; Nakajima, H; Tunmee, S; Songsiriritthigul, C; Lee, VS; Songsiriritthigul, P 2019. Conformational distortion in solution processable PVK:TcTa blends and the effect on extra warm white organic phosphorescent light emitting diodes. ORGANIC ELECTRONICS.  (Tier 1, Impact Factor = 3.680) (WoS)
    • Kara, J; Suwanhom, P; Wattanapiromsakul, C; Nualnoi, T; Puripattanavong, J; Khongkow, P; Lee, VS; Gaurav, A; Lomlim, L 2019. Synthesis of 2-(2-oxo-2H-chromen-4-yl)acetamides as potent acetylcholinesterase inhibitors and molecular insights into binding interactions. ARCHIV DER PHARMAZIE.  (Tier 2, Impact Factor = 2.288) (WoS)
    2018
    • Fatima, A.; Abdul, A. B. H.; Abdullah, R.; Karjiban, R. A.; Lee, V. S. (2018). Docking studies reveal zerumbone targets beta-catenin of the Wnt-beta-catenin pathway in breast cancer. J. Serb. Chem. Soc. 83, (5), 575-591. (WoS)
    • Yam, S.-C.; Zain, S. M.; Lee, V. S.; Chew, K.-H. (2018). Correlation between polar surface area and bioferroelectricity in DNA and RNA nucleobases. The European Physical Journal E 41, (7), 86. (WoS)
    • Chiangraeng, N., Lee, V. S., & Nimmanpipug, P. (2018, December). Miscibility of PS-PI diblock copolymer by Molecular Dynamic and Mesoscopic Simulations. In Journal of Physics: Conference Series (Vol. 1144, No. 1, p. 012103). IOP Publishing. (WoS)
    • Nimmanpipug, P.; Kodchakorn, K.; Lee, V. S.; Yana, J.; Jarumaneeroj, C.; Phongtamrug, S.; Chirachanchai, S.(2018). Structural and transport phenomena of urocanate-based proton carrier in sulfonated poly (ether ether ketone) membrane composite. Journal of Polymer Science Part B: Polymer Physics 56, (24), 1625-1635. (WoS)
    • Hashim, A. H.; Zain, S. M.; Lee, V. S.; Said, S. M. (2018).Electronic, magnetic and structural properties of Co3O4 (100) surface: a DFT+ U study. Applied Surface Science 427, 1090-1095. (WoS)
    • Saeed, IM; Alaba, P; Mazari, SA; Basirun, WJ; Lee, VS; Sabzoi, N 2018. Opportunities and challenges in the development of monoethanolamine and its blends for post-combustion CO2 capture. INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL (WoS)
    • Sukumaran, SD; Faraj, FL; Lee, VS; Othman, R; Buckle, MJC 2018. 2-Aryl-3-(arylideneamino)-1,2-dihydroquinazoline-4(3H)-ones as inhibitors of cholinesterases and self-induced beta-amyloid (A beta) aggregation: biological evaluations and mechanistic insights from molecular dynamics simulations. RSC ADVANCES (WoS)
    • Nabi, A., Tasneem, S., Jesudason, C. G., Lee, V. S., & Zain, S. B. M. (2018). Study of interaction between cationic surfactant (CTAB) and paracetamol by electrical conductivity, tensiometric and spectroscopic methods. Journal of Molecular Liquids, 256, 100-107. (WoS)
    • Hanim, N., Nadiah, S., Halim, A. and Zain, S. (2018) .Modification of Anti-cancer Co-crystal for Thymidylate Synthase Inhibition : Molecular Dynamics Study, Chiang Mai Journal of Science, 45(6), pp. 1 13. (WoS)
    • Sukumaran, S. D., Faraj, F. L., Lee, V. S., Othman, R., & Buckle, M. J. (2018). 2-Aryl-3-(arylideneamino)-1, 2-dihydroquinazoline-4 (3 H)-ones as inhibitors of cholinesterases and self-induced -amyloid (A ) aggregation: biological evaluations and mechanistic insights from molecular dynamics simulations. RSC Advances, 8(14), 7818-7831. (WoS)
    • Saoin, S; Wisitponchai, T; Intachai, K; Chupradit, K; Moonmuang, S; Nangola, S; Kitidee, K; Fanhchaksai, K; Lee, VS; Hong, SS; Boulanger, P; Chuankhayan, P; Chen, CJ; Tayapiwatana, C 2018. Deciphering critical amino acid residues to modify and enhance the binding affinity of ankyrin scaffold specific to capsid protein of human immunodeficiency virus type 1. ASIAN PACIFIC JOURNAL OF ALLERGY AND IMMUNOLOGY (WoS)
    2017
    • Haron, N., Lee, V. S., Sairi, N. A., Zain, S. M., Alias, Y., & Aroua, M. K. (2016). Microstructures, interactions and dynamics properties studies of aqueous guanidinium triflate ionic liquid from molecular dynamics simulations. Journal of Molecular Liquids,227, 184 193. (WoS)
    • Saoin, S., Wisitponchai, T., Intachai, K., Chupradit, K., Moonmuang, S., Nangola, S., ... & Boulanger, P. (2017). Deciphering critical amino acid residues to modify and enhance the binding affinity of ankyrin scaffold specific to capsid protein of human immunodeficiency virus type. Asian Pacific journal of allergy and immunology. (WoS)
    • Tan, CW; Sam, IC; Lee, VS; Wong, HV; Chan, YF 2017. VP1 residues around the five-fold axis of enterovirus A71 mediate heparan sulfate interaction. VIROLOGY (WoS)
    • Haron, N; Lee, VS; Sairi, NA; Zain, SM; Alias, Y; Aroua, MK 2017. Microstructures, interactions and dynamics properties studies of aqueous guanidinium triflate ionic liquid from molecular dynamics simulations. JOURNAL OF MOLECULAR LIQUIDS (WoS)
    • Wongrattanakamon, P; Lee, VS; Nimmanpipug, P; Sirithunyalug, B; Chansakaow, S; Jiranusornkul, S 2017. Insight into the molecular mechanism of P-glycoprotein mediated drug toxicity induced by bioflavonoids: an integrated computational approach. TOXICOLOGY MECHANISMS AND METHODS (WoS)
    • Wisitponchai, T; Shoombuatong, W; Lee, VS; Kitidee, K; Tayapiwatana, C 2017. AnkPlex: algorithmic structure for refinement of near-native ankyrin-protein docking. BMC BIOINFORMATICS (WoS)
    • Tan, CW; Sam, IC; Chong, WL; Lee, VS; Chan, YF 2017. Polysulfonate suramin inhibits Zika virus infection. ANTIVIRAL RESEARCH (WoS)
    • Amir-Hassan, A; Lee, VS; Baharuddin, A; Othman, S; Xu, YT; Huang, ML; Yusof, R; Abd Rahman, N; Othman, R 2017. Conformational and energy evaluations of novel peptides binding to dengue virus envelope protein. JOURNAL OF MOLECULAR GRAPHICS MODELLING (WoS)
    • Tan CW, Sam IC, Lee VS, Wong HV, Chan YF. 2017. VP1 residues around the five-fold axis of enterovirus A71 mediate heparan sulfate interaction. Virology; 501: 79-87. (WoS)
    2016
    • Kantawong, T., Lee, V. S., & Nimmanpipug, P. (2016). Anatase TiO2 (101) and wurtzite ZnO (001) modified polymer for visible light-photocatalytic efficiency enhancement. Integrated Ferroelectrics, 175(1), 120-129. (WoS)
    • Abdullah, N. H., Thomas, N. F., Sivasothy, Y., Lee, V. S., Liew, S. Y., Noorbatcha, I. A., & Awang, K. (2016). Hyaluronidase Inhibitory Activity of Pentacylic Triterpenoids from Prismatomeris tetrandra (Roxb.) K. Schum: Isolation, Synthesis and QSAR Study. International journal of molecular sciences, 17(2), 143. (WoS)
    • Kodchakorn, K., Lee, V. S., Yana, J., & Nimmanpipug, P. (2016). Density functional theory calculations of hydrogen dissociative adsorption on platinum-involved alloy surfaces. Surface and Coatings Technology,306,35 40. (WoS)
    • Sabri, F. N., Monajemi, H., Zain, S. M., Wai, P. S., Rungrotmongkol, T., & Lee, V. S. (2016). Molecular conformation and UV visible absorption spectrum of emeraldine salt polyaniline as a hydrazine sensor. Integrated Ferroelectrics, 175(1), 202-210. (WoS)
    • Petrat, W., Wattanapiromsakul, C., Nualnoi, T., SABRI, N. H., LEE, V. S., & Lomlim, L. (2016). Cholinesterase inhibitory activity, kinetic and a molecular docking studies of N-(1-substituted-1H-1, 2, 3-triazole-4-yl)-aralkylamide derivatives. Walailak Journal of Science and Technology (WJST), 14(9). (WoS)
    • Lee, V. S., Ngaojampa, C., Nimmanpipug, P., & Yu, L. (2016). Monte carlo and molecular dynamics simulations of surface modification of DNA interacted with ultra-low-energy carbon atoms. Surface and Coatings Technology, 306,222-228 (WoS)
    • Nadzri, N. I., Sabri, N. H., Lee, V. S., & Halim, S. N. A. (2016). 5-Fluorouracil Co-crystals and Their Potential Anti-cancer Activities Calculated by Molecular Docking Studies. Journal of Chemical Crystallography, 46(3), 144-154. (WoS)
    • Sangprasert, W., Sanghiran Lee, V., Yavirach, P., Boonyawan, D., & Nimmanpipug, P. (2016). Mechanical Properties Study of Plasma Treated Epoxy-Base Post in Dual-Material Systems. In Key Engineering Materials (Vol. 675, pp. 739-743). Trans Tech Publications. (WoS)
    • Piyanuch, P., Watpathomsub, S., Lee, V. S., Nienaber, H. A., & Wanichacheva, N. (2016). Highly sensitive and selective Hg 2+-chemosensor based on dithia-cyclic fluorescein for optical and visual-eye detections in aqueous buffer solution. Sensors and Actuators B: Chemical, 224, 201-208. (WoS)
    • Hematpoor, A., Liew, S. Y., Chong, W. L., Azirun, M. S., Lee, V. S., & Awang, K. (2016). Inhibition and Larvicidal Activity of Phenylpropanoids from Piper sarmentosum on Acetylcholinesterase against Mosquito Vectors and Their Binding Mode of Interaction. PloS one, 11(5), e0155265. (WoS)
    • Lee, L. F., Mariappan, V., Vellasamy, K. M., Lee, V. S., & Vadivelu, J. (2016). Antimicrobial activity of Tachyplesin 1 against Burkholderia pseudomallei: an in vitro and in silico approach. PeerJ 4, e2468. (WoS)
    • Haron, N., Sairi, N. A., & Lee, V. S. (2016). Microstructures, interactions and dynamics properties studies of N-methyldiethanolamine+ guanidinium triflate ionic liquid+ water tertiary system at the standard temperature. Molecular Simulation, 42(8), 655-666. (WoS)
    • S. Othman, C. S. Gan, N. Abd Rahman, V. S. Lee and R. Yusof. 2016 Alteration of cell membrane constituents by dengue virus for successive evasion of immune response. FEBS Journal 283 (Suppl 1) 57 DOI:10:10.1111/febs.13807 (WoS)
    2015
    • Yana, J.; Chirachanchai, S.; Jarumaneeroj, C.; Lee, V. S.; Kodchakorn, K.; Tashiro, K.; Nimmanpipug, P. DFT Study of Proton Transfer in Methyl Urocanate and Butyl Urocanate. Macromolecular Symposia 2015, 354, 99- 103. (WoS/SCOPUS)
    • Le, C.-F.; Yusof, M. Y. M.; Hassan, M. A. A.; Lee, V. S.; Isa, D. M.; Sekaran, S. D. In vivo efficacy and molecular docking of designed peptide that exhibits potent antipneumococcal activity and synergises in combination with penicillin. Sci. Rep. 2015, 5:11886, doi: 10.1038/srep11886 (WoS/SCOPUS)
    • Rakitikul, W.; Lee, V. S.; Yavirach, P.; Boonyawan, D.; Nimmanpipug, P. Adhesion Improvement via Surface Functionalization of Epoxy-Resin Base Post by Low Temperature Plasma. Macromolecular Symposia 2015, 354, 13- 20. (WoS/SCOPUS)
    • Nimmanpipug, P.; Laosombat, T.; Lee, V. S.; Vannarat, S.; Chirachanchai, S.; Yana, J.; Tashiro, K. Proton transfer mechanism of 1,3,5-tri(2- benzimidazolyl) benzene with a unique triple-stranded hydrogen bond network as studied by DFT-MD simulations. Chemical Engineering Science, 2015, 137, 404-411. (WoS/SCOPUS)
    • Chin, Y. P.; Raof, S. F. A.; Sinniah, S.; Lee, V. S.; Mohamad, S.; Manan, N. S. A. Inclusion complex of Alizarin Red S with -cyclodextrin: Synthesis, spectral, electrochemical and computational studies. Journal of Molecular Structure 2015, 1083, 236-244. (WoS/SCOPUS)
    • Seth, S.K.; Lee, V.S.; Yana, J.; Zain, S.M.; Cunha, A.C.; Ferreira, V.F.; Jord o, A.K.; De Souza, M.C.B.V.; Wardell, S.M.S.V.; Wardell, J.L.; Tiekink, E.R.T. Crystallographic and computational study of 1-(arylamino)-1,2,3-triazole- 4- carbohydrazides , CrystEngComm, 2015, 17 (11), 2255-2266. (WoS/SCOPUS)
    • Fiona N.-F. How, 1, Nurhidayah Jamaluddin, Siti Nadiah Abdul Halim, Vannajan Sanghiran Lee, Structure Determination and Tautomeric Transition of 3-Amino-1{[Bis(benzylsulfanyl) methylidene]amino}urea, 2015, Journal of Structural Chemistry, in press. (WoS/SCOPUS)
    • Chong, W. L.; M Zain, S.; Othman, R.; Binti Othman, S.; Nimmanpipug, P.; Tayapiwatana, C.; Lee, V. S. In Exploration of Residue Binding Energy of Potential Ankyrin for Dengue Virus II from MD Simulations, Proceeding of 3rd International Conference on Computation for Science and Technology (ICCST-3), Atlantis Press, 2015, 101-103. doi:10.2991/iccst-15.2015.19. (WoS/SCOPUS)
    • Gautam, V.; Hanim Sabri, N.; Lim Chong, W.; M Zain, S.; Sanghiran Lee, V.; Gaurav, A. In Computational Alanine Scanning Mutagenesis: Characterizing the hotspots of ILK-Ankyrin Repeat and PINCH1 Complex, Proceeding of 3rd International Conference on Computation for Science and Technology (ICCST-3), Atlantis Press, 2015, 92-94. doi:10.2991/iccst-15.2015.17. (WoS/SCOPUS)
    • Atiqah Abdul Karim, H.; Tayapiwatana, C.; Nimmanpipug, P.; M Zain, S.; Abdul Rahman, N.; Sanghiran Lee, V. In Molecular Dynamics Simulation on Designed Antibodies of HIV-1 Capsid Protein (p24), Proceeding of 3rd International Conference on Computation for Science and Technology (ICCST-3), Atlantis Press, 2015, 85-88. doi:10.2991/iccst-15.2015.15. (WoS/SCOPUS)
    • Nokinsee, D.; Shank, L.; Lee, V. S.; Nimmanpipug, P. Estimation of Inhibitory Effect Against Tyrosinase Activity Through Homology Modeling and Molecular Docking , Enzyme research, 2015, in press. (WoS/SCOPUS)
    • Haron, N.; Sairi, N. A.; Lee, V. S. Microstructures, interactions and dynamics properties studies of N-methyldiethanolamine + guanidinium triflate ionic liquid + water tertiary system at the standard temperature. Molecular Simulation 2015, in press, http://dx.doi.org/10.1080/08927022.2015.1068942. (WoS/SCOPUS)
    • Jindal, H. M.; Le, C. F.; Mohd Yusof, M. Y.; Velayuthan, R. D.; Lee, V. S.; Zain, S. M.; Isa, D. M.; Sekaran, S. D. Antimicrobial Activity of Novel Synthetic Peptides Derived from Indolicidin and Ranalexin against Streptococcus pneumoniae. PLoS ONE 2015, 10(6): e0128532. doi: 10.1371/journal.pone.0128532. (WoS/SCOPUS)
    • Lum, K. Y.; Tay, S. T.; Le, C. F.; Lee, V. S.; Sabri, N. H.; Velayuthan, R. D.; Hassan, H.; Sekaran, S. D. Activity of Novel Synthetic Peptides against Candida albicans. Sci. Rep. 2015, 5:9657 doi:10.1038/srep09657. (WoS/SCOPUS)
    • Piyanuch, P.; Watpathomsub, S.; Lee, V.S.; Nienaber, H.A.; Wanichacheva, N., Highly sensitive and selective Hg2+-chemosensor based on dithia- cyclic fluorescein for optical and visual-eye detections in aqueous buffer solution, Sensors & Actuators: B. Chemical, 2015, accepted. (WoS/SCOPUS)
    • Fatima, A.; Abdul, A.B.H.;Abdullah, R.; Karjiban, R.A.; Lee, V.S. Binding mode analysis of zerumbone to key signal proteins in the tumor necrosis factor pathway , International Journal of Molecular Sciences, 2015, 16 (2), 2747-2766. (WoS/SCOPUS)
    • Chen, L; Lee, YK; Manmana, Y; Tay, KS; Lee, VS; Rahman, NA 2015. Synthesis, characterization, and theoretical study of an acrylamide-based magnetic molecularly imprinted polymer for the recognition of sulfonamide drugs. E-POLYMERS (WoS)
    2014
    • Frimayanti, N.; Lee, V. S.; Zain, S. M.; Wahab, H. A.; Abd. Rahman, N. 2D, 3D-QSAR, and pharmacophore studies on thiazolidine-4-carboxylic acid derivatives as neuraminidase inhibitors in H3N2 influenza virus. Medicinal Chemistry Research 2014, 23, 1447-1453. (WoS/SCOPUS)
    • Monajemi, H.; Cheah, M. H.; Lee, V. S.; Zain, S. M.; Tajuddin Wan Abdullah, W. A. On the kinetics and reaction mechanisms of boronic acid in interaction with diols for non-enzymatic glucose monitoring applications: A hybrid DFT study. RSC Advances 2014, 4, 10505-10513. (WoS/SCOPUS)
    • 1.Praditwongwan, W.; Chuankhayan, P.; Saoin, S.; Wisitponchai, T.; Lee, V.S.; Nangola, S.; Hong, S.S.; Minard, P.; Boulanger, P.; Chen, C-J.; Tayapiwatana, C. Crystal structure of an antiviral ankyrin targeting the HIV-1 capsid and molecular modeling of the ankyrin-capsid complex, J Comput Aided Mol Des, 2014, DOI 10.1007/s10822-014-9772-9. (WoS/SCOPUS)
    • Tue-nguen, P.; Nimmanpipug, P.; Lawan, N.; Nangola, S.; Tayapiwatana, C.; Lee, V. S., Identification of important residues by computational alanine scanning analysis interaction mechanisms of scFv anti-p17 complexes based on molecular dynamics simulation , Integrated Ferroelectrics, 2014, 156, 36 44. (WoS/SCOPUS)
    • Yana, J.; Jeanpakdeesombut, S.; Jiranusornkul, S.; Lee, V. S.; Kodchakorn, K.; Dokmaisrijan, S.; Nimmanpipug, P. Molecular Modeling of a PNA/RNA Duplex - Cyanin Dye Complex , Integrated Ferroelectrics, 2014 (WoS/SCOPUS)
    • Kodchakorn, K.; Dokmaisrijan, S.; Payaka, A.; Wisitponchai, T.; Chong, W.; Zain, S.M.; Rahman N.A.; Nimmanpipug, P.; Tayapiwatana, C.; Lee, V.S. GPU accelerated molecular dynamics simulations for protein -protein interaction of ankyrin complex Integrated Ferroelectrics, 2014, 156,137 146 (WoS/SCOPUS)
    • Rosli, A. N., Abu Bakar, M. A., Lee, V. S., Zain, S. M., Ahmad, M. R., Manan, N. S. A., Alias, Y., Woi, P. M. 2014. Rational design of carbonitrile-carboxaldehyde cation receptor models: probing the nature of the heteroatom-metal interaction Journal of Molecular Modeling. (Tier 2, Impact Factor = 1.867) (WoS)
    • Nimmanpipug, P., Srisombat, L., Saelor, A., Lee, V. S., Pramchu, S., Laosiritaworn, Y. 2014. Rebuttal to "density functional theory investigation of site prediction of Fe substitution in barium titanate" Ceramics International. (Tier 1, Impact Factor = 2.086) (WoS)
    • Rosli, A. N., Ahmad, M. R., Alias, Y., Zain, S. M., Lee, V. S., Woi, P. M. 2014. Computational evaluation of unsaturated carbonitriles as neutral receptor model for beryllium(II) recognition Journal of Molecular Modeling. (Tier 2, Impact Factor = 1.867) (WoS)
    • Praditwongwan, W., Chuankhayan, P., Saoin, S., Wisitponchai, T., Lee, V. S., Nangola, S., Hong, S. S., Minard, P., Boulanger, P., Chen, C. J., Tayapiwatana, C. 2014. Crystal structure of an antiviral ankyrin targeting the HIV-1 capsid and molecular modeling of the ankyrin-capsid complex Journal of Computer-Aided Molecular Design. (Tier 1, Impact Factor = 2.782) (WoS)
    • Woi, P. M., Bakar, M. A. A., Rosli, A. N., Lee, V. S., Ahmad, M. R., Zain, S. M., Alias, Y. 2014. Does cation break the cyano bond? A critical evaluation of nitrile-cation interaction Journal of Molecular Modeling. (Tier 2, Impact Factor = 1.867) (WoS)
    • Monajemi, H., Cheah, M. H., Lee, V. S., Zain, S. M., Abdullah, W. 2014. On the kinetics and reaction mechanisms of boronic acid in interaction with diols for non-enzymatic glucose monitoring applications: a hybrid DFT study Rsc Advances. (Tier 1, Impact Factor = 3.708) (WoS)
    • Rosli, A. N., Abu Bakar, M. A., Lee, V. S., Zain, S. M., Ahmad, M. R., Manan, N. S. A., Alias, Y., Woi, P. M. 2014. Rational design of carbonitrile-carboxaldehyde cation receptor models: probing the nature of the heteroatom-metal interaction Journal of Molecular Modeling. (Tier 2, Impact Factor = 1.867) (WoS)
    • Nimmanpipug, P., Srisombat, L., Saelor, A., Lee, V. S., Pramchu, S., Laosiritaworn, Y. 2014. Rebuttal to "density functional theory investigation of site prediction of Fe substitution in barium titanate" Ceramics International. (Tier 1, Impact Factor = 2.086) (WoS)
    • Rosli, A. N.; Ahmad, M. R.; Alias, Y.; Zain, S. M.; Lee, V. S.; Woi, P. M., Computational evaluation of unsaturated carbonitriles as neutral receptor model for beryllium(II) recognition. Journal of Molecular Modeling. 20: 2533,2014. DOI: 10.1007/s00894-014-2533-9 (WoS)
    • Rosli, A. N., Ahmad, M. R., Alias, Y., Zain, S. M., Lee, V. S., Woi, P. M. 2014. Computational evaluation of unsaturated carbonitriles as neutral receptor model for beryllium(II) recognition Journal of Molecular Modeling. (Tier 2, Impact Factor = 1.867) (WoS)
    • P.M. Woi, M.A.A. Bakar, A.N. Rosli, V.S. Lee, M.R. Ahmad, S.M. Zain, Y. Alias. Does cation break cyano bond? A critical evaluation of nitrile-cation interaction. J. Mol Model, 2014, 20, 2219 (WoS)
    • Rosli, A. N.; Bakar, M. A. A.; Lee, V. S.; Zain, S. M.; Ahmad, M. R.; Manan, N. S. A.; Alias, Y.; Woi, P. M., Rational design of carbonitrile- carboxaldehyde cation receptor models - probing the nature of heteroatom-metal interaction. Journal of Molecular Modeling, 2014. 20:2428; DOI: 10.1007/s00894- 014-2428-9. (WoS)
    • Praditwongwan, W., Chuankhayan, P., Saoin, S., Wisitponchai, T., Lee, V. S., Nangola, S., Hong, S. S., Minard, P., Boulanger, P., Chen, C. J., Tayapiwatana, C. 2014. Crystal structure of an antiviral ankyrin targeting the HIV-1 capsid and molecular modeling of the ankyrin-capsid complex Journal of Computer-Aided Molecular Design. (Tier 1, Impact Factor = 2.782) (WoS)
    • Woi, P. M., Bakar, M. A. A., Rosli, A. N., Lee, V. S., Ahmad, M. R., Zain, S. M., Alias, Y. 2014. Does cation break the cyano bond? A critical evaluation of nitrile-cation interaction Journal of Molecular Modeling. (Tier 2, Impact Factor = 1.867) (WoS)
    • Monajemi, H., Cheah, M. H., Lee, V. S., Zain, S. M., Abdullah, W. 2014. On the kinetics and reaction mechanisms of boronic acid in interaction with diols for non-enzymatic glucose monitoring applications: a hybrid DFT study Rsc Advances. (Tier 1, Impact Factor = 3.708) (WoS)
    • Woi, P. M.; Bakar, M. A. A.; Rosli, A. N.; Lee, V. S.; Ahmad, M. R.; Md Zain, S.; Alias, Y. Does cation break the cyano bond? A critical evaluation of nitrile- cation interaction. Journal of Molecular Modeling 2014, 20 (5), DOI: 10.1007/s00894-014-2219-3 (WoS/SCOPUS)
    • Saelor, A.; Wankawee, K.; Srisombat, L.; Lee, V. S.; Nimmanpipug, P. Investigation of octahedral hole geometry and strain induced of doped perovskite barium titanate (BaTi0.6Ni0.2Fe0.1O3). Integrated Ferroelectrics 2014, 156, 23-28 (WoS/SCOPUS)
    2013
    • Wanichacheva, N.; Prapawattanapol, N.; Sanghiran Lee, V.; Grudpan, K.; Petsom, A. Hg2+-induced self-assembly of a naphthalimide derivative by selective "turn-on" monomer/excimer emissions monomer/excimer emissions Journal of Luminescence 2013, 134, 686-690 (WoS/SCOPUS)
    • Wisitponchai, T.; Nimmanpipug, P.; Lee, V. S.; Tayapiwatana, C. MATLAB process for validating amino acids on CD4 involving in DARPin binding site from ZDOCK molecular docking database Chiang Mai Journal of Science 2013, 40, 232-239 (WoS/SCOPUS)
    • Tue-nguen, P.; Kodchakorn, K.; Nimmanpipug, P.; Lawan, N.; Nangola, S.; Tayapiwatana, C.; Rahman, N.A.; Zain, S.M.; Lee, V. S., Improved scFv Anti-HIV-1 p17 Binding Affinity Guided from the Theoretical Calculation of Pairwise Decomposition Energies and Computational Alanine Scanning , BioMed Research International, 2013, http://dx.doi.org/10.1155/2013/713585. (WoS/SCOPUS)
    • Lawan,N.; Muangpil, S.; Kungwan, N.; Meepowpan, P.; Lee, V.S.; Punyodom, W. Tin (IV) alkoxide initiator design for poly (D-lactide) synthesis using DFT Calculations Computational and Theoretical Chemistry, 2013, 1020, 121 126. (WoS/SCOPUS)
    • Jainontee, K.; Lee, V. S.; Prasitwattanaseree, S.; Grudpan, K. Simultaneous spectrophotometric determination of food colorants employing multivariate calibration methods Chiang Mai University Journal of Natural Sciences 2013, 12, 163-176 (WoS/SCOPUS)
    • Jainontee, K.; Lee, V. S.; Prasitwattanaseree, S.; Grudpan, K. K-means clustering and hierarchical cluster analysis coupled with linear discriminant analysis to classify signals in osmotic fragility test for thalassemia screening Chiang Mai University Journal of Natural Sciences 2013, 12, 141-162 (WoS/SCOPUS)
    • Dokmaisrijan, S.; Payaka, A.; Tantishaiyakul, V.; Chairat, M.; Nimmanpipug, P.; Lee, V. S. Conformations and spectroscopic properties of laccaic acid A in the gas phase and in implicit water Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2013, 105, 125-134 (WoS/SCOPUS)
    • Nimmanpipug, P.; Saelor, A.; Srisombat, L.; Lee, V. S.; Laosiritaworn, Y. Density functional theory investigation of site predilection of Fe substitution in barium titanate Ceramics International 2013, 39, S293- S296 (WoS/SCOPUS)
    • Ahmad Nazmi Rosli Maizathul Akmam Abu Bakar, Ninie Suhana Abdul Manan, Pei Meng Woi, Vannajan Sanghiran Lee, Sharifuddin Md Zain, Mohd Rais Ahmad and Yatimah Alias; G3 Assisted Rational Design of Chemical Sensor Array Using Carbonitrile Neutral Receptors, Sensors 2013, 13, 13835-13860 (WoS)
    2012
    • Frimayanti, N.; Zain, S. M.; Lee, V. S.; Wahab, H. A.; Yusof, R.; Rahman, N. A. Fragment-Based Molecular Design of New Competitive Dengue Den2 Ns2b/Ns3 Inhibitors from the Components of Fingerroot (Boesenbergia rotunda) , In Silico Biology, 2012, 11, 29 37. DOI 10.3233/ISB-2012-0442 (WoS/SCOPUS)
    • Prapawattanapol, N.; Lee,V. S., Grudpan, K.; Wanichacheva, N.; Petsom, A. Hg2+-induced self-assembly of a naphthalimide derivative by selective "turn-on" monomer/excimer emissions , Journal of Luminescence, 2012, http://dx.doi.org/10.1016/j.jlumin.2012.07.009. (WoS/SCOPUS)
    • Paengsri, W; Lee, V.S.; Chong, W.L.; Wahab, H.A.; Baramee, A. Synthesis, Antituberculosis Activity and Molecular Docking Studies for Novel Naphthoquinone Derivatives. International Journal of Biological Chemistry, 2012, 42998-IJBC-AJ. (WoS/SCOPUS)
    • Sangprasert, W.; Nimmanpipug, P.; Yavirach, P.; Lee, V. S.; Boonyawan, D. Epoxy Resin Surface Functionalization Using Atmospheric Pressure Plasma Jet Treatment Japanese Journal of Applied Physics, 2012, 51, 01AJ04 (WoS/SCOPUS)
    • Yana, J.; Lee, V. S; Rattanachai, Y.; Songsiriritthigul, P.; Medhisuwakul, M.; Vannarat, S.; Dokmaisrijan, S.; Vilaithong, T.; Nimmanpipug, P. Computational and Experimental Study of Low Energy Ar+ Bombardment on Nafion , Surface & Coatings Technology, 2012, doi: 10.1016/j.surfcoat.2012.02.051 (WoS/SCOPUS)
    • Abdallah, H. H.; Mavri, J.; Repi , M.; Lee, V. S.; Wahab, H.A. Chemical Reaction of Soybean Flavonoids with DNA: A Computational Study Using the Implicit Solvent Model Int. J. Mol. Sci. 2012, 13, 1269-1283; doi:10.3390/ijms13021269 (WoS/SCOPUS)
    • Wainiphithapong, C., Hanmeng, O., Lee, V. S., Grudpan, K., Wanichacheva, N. 2012. Diphenylmaleimide derivatives and their efficiency in off-on Hg2+ fluorometric sensing Maejo International Journal of Science and Technology. (Tier 3, Impact Factor = 0.258) (WoS)
    • Abdallah, H. H., Mavri, J., Repic, M., Lee, V. S., Wahab, H. A. 2012. Chemical Reaction of Soybean Flavonoids with DNA: A Computational Study Using the Implicit Solvent Model International Journal of Molecular Sciences. (Tier 2, Impact Factor = 2.598) (WoS)
    • Yana, J., Lee, V. S., Rattanachai, Y., Songsiriritthigul, P., Medhisuwakul, M., Vannarat, S., Dokmaisrijan, S., Vilaithong, T., Nimmanpipug, P. 2012. Computational and experimental study of low energy Ar+ bombardment on Nafion Surface Coatings Technology. (Tier 2, Impact Factor = 1.867) (WoS)
    • Abdallah, H. H., Mavri, J., Repic, M., Lee, V. S., Wahab, H. A. 2012. Chemical Reaction of Soybean Flavonoids with DNA: A Computational Study Using the Implicit Solvent Model International Journal of Molecular Sciences. (Tier 2, Impact Factor = 2.598) (WoS)
    • Yana, J., Lee, V. S., Rattanachai, Y., Songsiriritthigul, P., Medhisuwakul, M., Vannarat, S., Dokmaisrijan, S., Vilaithong, T., Nimmanpipug, P. 2012. Computational and experimental study of low energy Ar+ bombardment on Nafion Surface Coatings Technology. (Tier 2, Impact Factor = 1.867) (WoS)
    • Wainiphithapong, C., Hanmeng, O., Lee, V. S., Grudpan, K., Wanichacheva, N. 2012. Diphenylmaleimide derivatives and their efficiency in off-on Hg2+ fluorometric sensing Maejo International Journal of Science and Technology. (Tier 3, Impact Factor = 0.258) (WoS)
    2011
    • Jitonnom, J.; Lee, V. S.; Nimmanpipug, P.; Rowlands, H. A.; Mulholland, A. J. QM/MM Modeling of Substrate-Assisted Catalysis in Family 18 Chitinases: Conformational Changes and the Role of Asp142 in Catalysis in ChiB , Biochemistry, 2011, 50 (21), 4697 4711 (WoS/SCOPUS)
    • Jitonnom, J.; Mulholland, A. J.; Nimmanpipug, P.; Lee, V. S. Hybrid QM/MM study on the deglycosylation step of chitin hydrolysis catalysed by chitinase B from Serratia marcescens", Maejo Int. J. Sci. Technol, 2011, 5(01), 47-57 (WoS/SCOPUS)
    • Ngaojampa, C.; Nimmanpipug, P.; Yu, L.; Anuntalabhochai, S.; Lee, V.S. Combined quantum-mechanics/molecular-mechanics (QM/MM) dynamics simulation of A-DNA double strands irradiated by ultra-low-energy carbon ions , NIMB, 2011, 269, 504 510 (WoS/SCOPUS)
    • Nimmanpipug, P.; Khampa, C.; Lee, V. S.; Nangola, S.; Tayapiwatana, C. Identification of amino acid residues of a designed ankyrin repeat protein potentially involved in intermolecular interactions with CD4: analysis by molecular dynamics simulations" Journal of Molecular Graphics and Modelling, 2011, 31, 65-75. (WoS/SCOPUS)
    • Nimmanpipug, P., Khampa, C., Lee, V. S., Nangola, S., Tayapiwatana, C. 2011. Identification of amino acid residues of a designed ankyrin repeat protein potentially involved in intermolecular interactions with CD4: Analysis by molecular dynamics simulations Journal of Molecular Graphics Modelling. (Tier 1, Impact Factor = 2.038) (WoS)
    • Nimmanpipug, P., Khampa, C., Lee, V. S., Nangola, S., Tayapiwatana, C. 2011. Identification of amino acid residues of a designed ankyrin repeat protein potentially involved in intermolecular interactions with CD4: Analysis by molecular dynamics simulations Journal of Molecular Graphics Modelling. (Tier 1, Impact Factor = 2.038) (WoS)
    2010
    • Nokthai, P.; Shank, L.; Lee, V. S. "Molecular Modeling of Peroxidase and Polyphenol Oxidase: Substrate Specificity and Active Site comparison", Int. J. Mol. Sci. 2010, 11, 3266-3276
    • Yana, J.; Nimmanpipug, P.; Chirachanchai, S.; Dokmaisrijan, S.; Vannarat, S.; Vilaithong, T.; and Lee V. S. "Molecular dynamics simulations of Krytox-Silica-Nafion composite for high temperature fuel cell electrolyte membranes" Polymer 2010, 51, 4632-4638 (WoS/SCOPUS)
    • Ngaojampa, C.; Nimmanpipug, P.; Yu, L.; Anantalabhochai, S.; Lee, V. S. "Molecular Simulations of Interactions between Low-energy Nitrogen Ions and A-DNA in Vacuum", J. of Mol. Graph. Model. 2010, 28, 533-539 (WoS/SCOPUS)
    • Lee, V.S.; Kodchakorn, K.; Jitonnom, J.; Nimmanpipug, P.; Kongtawelert, P.; Premanode, B. "Influence of Metal Cofactors and Water on the Catalytic Mechanism of Creatininase- Creatinine in Aqueous Solution from Molecular Dynamics Simulation and Quantum Study", J. Comput Aid Mol Des, 2010, 24, 879 886 (WoS/SCOPUS)
    • Sangprasert, W., Lee, V. S.; Boonyawan, D.; Tashiro, K.; Nimmanpipug, P. "Sulfur Hexafluoride Plasma Surface Modification of Gly-Ala and Ala-Gly as Bombyx Mori Silk Model Compounds: Mechanism Investigations", J. of Mol. Struct, 2010, 963, 130-136 (WoS/SCOPUS)
    • Dokmaisrijan, S.; Nimmanpipug P.; Lee, V. S., "The Gas Phase Conformations and Vibrational Spectra of Valine, Leucine and Isoleucine: An Ab Initio Study", Journal of Molecular Structure (THEOCHEM), 2010, 963, 130-136 (WoS/SCOPUS)
    • Khomhoi, P.; Sangprasert, W.; Lee, V. S.; Nimmanpug, P. "Theoretical Study of the Bombyx mori Silk Surface Functionalization: Quantum calculation of Glycine-Alanine unit reacting with fluorine and molecular dynamic simulation of wettability", Chiang Mai Journal of Science, 2010, 37(1), 106-115 (WoS/SCOPUS)
    • Wanichacheva, N.; Kamkaew, A.; Watpathomsub, S.; Lee, V.S.; Grudpan, K. "2-[3-(2-aminoethylsulfanyl)propylsulfanyl]ethanamine bearing dansyl subunits: An efficient, simple, and rapid fluorometric sensor for the detection of mercury(II) ions", Chemistry Letters, 2010, 39, 1099-1101 (WoS/SCOPUS)
    • Lee, V.S.; Tue-ngeun, P.; Nangola, S.; Kitidee, K.; Jitonnom, J.; Nimmanpipug, P.; Jiranusornkul, S.; Tayapiwatana, C. "Pairwise decomposition of residue interaction energies of single chain Fv with HIV-1 p17 epitope variants". Mol. Imm., 2010, 47, 982-900 (WoS/SCOPUS)
    • Monajjemi, M.; Lee, V. S.; Honarparvar, B.; Khaleghian, M.; Mollamin F. Theoretical description of electromagnetic non-bonded interactions of radical, cationic, and anionic NH2BHNBHNH2 inside the B18N18 nano-ring", Journal of Physical Chemistry C, 2010, 114 (36), 15315 15330 (WoS/SCOPUS)
    • Wanichacheva, N.; Watpathomsub , S.; Lee, V. S.; Grudpan, K. "Synthesis of a Novel Fluorescent Sensor Bearing Dansyl Fluorophores for the Highly Selective Detection of Mercury (II) Ions", Molecules, 2010, 15, 1798-1810 (WoS/SCOPUS)
    2009
    • Tue-ngeun, P.; Lee V.S.; Nimmanpipug, P.; Chaijaruwanich, J.; Prasitwattanaseree, S.; Traisathit, P. "FTIR and chemometric tools for the classification of Thai wines", Maejo International Journal of Science and Technology, 2009, 3(03), 446-458
    • Kareuhanon, W.; Lee, V. S.; Nimmanpipug, P.; Tayapiwatana, C.; Pattarawarapan, M. "Synthesis of Molecularly Imprinted Polymers for Nevirapine using Dummy Template Imprinting Approach", Chromatographia, 2009, 70, 1531-1537 (WoS/SCOPUS)
    • 23.Nimmanpipug, P., Lee, V. S.; Wolschann, Peter;, Hannongbua, S. "Litchi Chinensis-derived terpenoid as anti-HIV-1 protease agent: Structural design from molecular dynamics simulations", Molecular Simulation, 2009, 35, 673-680 (WoS/SCOPUS)
    • Lee, V. S.; Nimmanpipug, P.; Mollaamin, F.; Kungwan, N.; Thanasanvorakun, S.; Monajjemi , M. "Investigation of SWCNT s electrical properties and normal mode analysis: Dielectric effects", Russ. J. Phys. Chem A. 2009, 83(1), 2288-2296 (WoS/SCOPUS)
    2008
    • Nukoolkarn, V.; Lee, V. S.; Malaisree, M.; Aruksakunwong, O.; Hannongbua, S. "Molecular Dynamic Simulations Analysis of Ritronavir and Lopinavir as SARS-CoV 3CL pro Inhibitor", Journal of Theoretical Biology 2008, 254, 861-867 (WoS/SCOPUS)
    • Nimmanpipug, P.; Lee, V. S.; Janhom, S.; Chaivan, P.; Boonyawan, D.;Tashiro, K. "Molecular Functionalization of Cold-Plasma-Treated Bombyx mori Silk", Macromolecular Symposia, 2008, 264(1), 107-112 (WoS/SCOPUS)
    2007
    • Junkaew, A.; Jitonnom, J.; Nimmanpipug, P.; Lee, V. S. "Polymerizability of lactones calculated by molecular mechanics, semiempirical and density functional theory methods". Chiang Mai Journal of Science 2007, 34(1), 55-63
    • Yana, J.; Lee, V. S.; Nimmanpipug, P.; Dokmaisrijan, S.; Aukkaravittayapun, S.; Vilaithong, T. "Dry and wet molecular dynamics simulations of Nafion polymer electrolyte fuel cell membrane". Journal of Solid Mechanics and Materials Engineering 2007, 1, 4, 556 563 (WoS/SCOPUS)
    • Nimmanpipug, P.; Jitonnom, J.; Ngaojampa, C.; Hannongbua, S.; Lee, V. S. "A computational H5N1 Neuraminidase Implicit Molecular Dynamics Model and Its Binding to Commercial Drugs". Molecular Simulations 2007, 33, 6-18, 487-493 (WoS/SCOPUS)
    • Nimmanpipug, P.; Lee, V. S.; Chaijaruanich, J.; Prasitwattanaseree, S.; Traisathit, P. "Structural Screening of HIV-1 Protease/inhibitor Docking by Non-Parametric Binomial Distribution Test". In Lecture Notes in Computer Science, Bioinformatics Research and Development; Springer Berlin: Heidelberg, 2007; Vol. 4414, pp. 119-130 (WoS/SCOPUS)
    • Lee, V. S.; Nimmanpipug, P.; Aruksakunwong, O.; Promsri, S.; Sompornpisut, P.; Hannongbua, S. "Structure Analysis of Lead Fullerene-Based Inhibitor Bound to Human Immunodeficiency Virus Type 1 Protease in Solutions From Molecular Dynamics Simulations". Journal of Molecular Graphics Modeling 2007, 26, 558-570 (WoS/SCOPUS)
    • Aruksakunwong, O.; Promsri, S.; Wittayanarakul, K.; Nimmanpipug, P.; Lee, V. S.; Wijitkosoom, A.; Sompornpisut, P.; Hannongbua, S. "Currently Developed HIV-1 Protease Inhibitors", Current Computer-Aided Drug Design, 2007, 3, 201-213 (WoS/SCOPUS)
    • Yeap, B.; Othman, A. S.; Lee, V. S.; Lee, C. "Molecular phylogenetics of the Asian subterranean termite, Coptotermes gestroi (Wasmann) and the Philippines milk termite, Coptotermes vastator Light (Isoptera: Rhinotermitidae)". Journal of Economic Entomology (Household and Structural Insects) 2007, 100, 467-474 (WoS/SCOPUS)
    2006
    • Aruksakunwong, O.; Wittayanarakul, K.; Sompornpisut, P.; Sanghiran, V.; Parasuk, V.; Hannongbua, S. "Structural and Dynamical Properties of Different Protonated States of Mutant HIV-1 Protease Complexed with the Saquinavir Inhibitor Studied by Molecular Dynamics Simulations", Journal of Molecular Graphic and Modelling 2006, 25, 324-332 (WoS/SCOPUS)
    2005
    • Wittayanarakul, K.; Aruksakunwong, O.; Sompornpisut, P.; Lee, V. S.; Parasuk, V.; Pinitglang, S.; Hannongbua, S. "Structure, Dynamics and Solvation of HIV-1 Protease/Saquinavir Complex in Aqueous Solution and their Contributions to Drug Resistance: Molecular Dynamic Simulations". Journal of Chemical Information and Modeling 2005, 45, 300-308 (WoS/SCOPUS)
    2004
    • Promsri, S.; Chuichay, P.; Lee, V. S.; Parasuk, V.; Hannongbua, S. "Molecular and Electronic Properties of HIV-1 Protease Inhibitor C60 derivatives as Studies by the ONIOM Method". Journal of Molecular Structure: THEOCHEM 2004, 715, 47-53 (WoS/SCOPUS)
    2003
    • Lee V. S.; Wittayanarakul, K.; Remsungnen T.; Parasuk V.; Sompornpisut, P.; Chantratita, W.; Sangma, C.; Vannarat, S.; Srichaikul, P.; Hannongbua, S.; Saparpakorn, P.; Treesuwan, W.; Aruksakulwong, O.; Promsri, S.; Chuakheaw, D.; Hannongbua, S. "Structure and Dynamics of SARS Coronavirus Proteinase: The Primary Key to the Designing and Screening for Anti-SARS Drugs". ScienceAsia 2003, 29, 181-188 (WoS/SCOPUS)
    2001
    • Sanghiran, V.; Schmitz, K. S. "Structure of Ion Cloud and Effective Charge of Spherical Colloidal Particle: Brownian Dynamic Simulations", Langmuir 2001, 16, 7566-7574 (WoS/SCOPUS)
    Book Chapter
    2011
    • Majid Monajjemi and Vannajan Sanghiran Lee (2011). Quantum Calculation in the Prediction of the Properties of Single-Walled Carbon Nanotubes (SWNTs) and Nanotube Bundles, Electronic Properties of Carbon Nanotubes, Jose Mauricio Marulanda (Ed.), ISBN: 978- 953-307-499-3, InTech, Available from: http://www.intechopen.com/articles/show/title/quantum- calculation-in-the-prediction-of-the-properties-of- single-walled-carbon-nanotubes-swnts-and-
    RESEARCH PROJECT
    (Project title),(Role),(Duration),(Level)
    Geran Penyelidikan Universiti Malaya (UMRG)
  • Hits-To-Leads: Protein Inhibitors: Ankyrin , Consultant, 2012 - 2015 (National)
  • Fundamental Research Grant Scheme (FRGS)
  • Theoretical and experimental study of ankyrin repeat molecule as molecular architecture for protein recognition , Principal Investigator(PI), 2012 - 2014 (National)
  • The Effect Of Helical Twisting Power Of The Chiral Nematic Of Chitosan On Its Morphogenesis, Co-Researcher, 01/11/2020 to 30/04/2024, Kementerian Pendidikan Tinggi (KPT) (Government)
  • Tuning Energy Gap And Photoluminescence Of Graphene Quantum Dots By Size And Edge Effects: An Experimental And Theoretical Investigation, Co-Researcher, 01/11/2020 to 30/04/2023, Kementerian Pendidikan Tinggi (KPT) (Government)
  • Top Down Formation Of The Atomically Precise Heterometallic Nanoclusters, Co-Researcher, 01/11/2020 to 30/04/2024, Kementerian Pendidikan Tinggi (KPT) (Government)
  • Short Term Research Fund (Vote F)(PJP)
  • Computational Invesitigation of mechanistic aspects of the enantiomeric selectivity in peptide catalysed flavonone synthesis , Principal Investigator(PI), 2011 - 2012 (National)
  • RU Geran - Fakulti Program
  • Elucidating Molecular Conformation in Thermally Activated Delayed Fluorescence (TADF) in Solid State, Co-Researcher, 15/09/2020 to 14/09/2022, Research University (Government)
  • In-depth Structural Determination of Vital Polysaccharides Isolated from Ganoderma Boninense Pathogenic Hyphae, Co-Researcher, 15/09/2020 to 14/09/2022, Research University (Government)
  • SUPERVISION
    Postgraduate Student
    (Title of Thesis),(Name of Candidates),(Institution),(Academic Level)
    Completed
    • PHYSICOCHEMICAL AND THERMODYNAMIC PROPERTIES OF BINARY AND TERNARY LIQUID MIXTURES, ARSHID NABI, University of Malaya (UM) (Post Graduate Student)
    • PHYSICOCHEMICAL AND THERMODYNAMIC PROPERTIES OF BINARY AND TERNARY LIQUID MIXTURES, ARSHID NABI, University of Malaya (UM) (Post Graduate Student)
    • MOLECULAR DYNAMICS SIMULATIONS OF PHASE BEHAVIOR AND STRUCTURAL STUDIES OF GUANIDINIUM TRIFLATE IONIC LIQUID AND ITS MIXTURE WITH WATER AND N-METHYLDIETHANOLAMINE FOR CARBON DIOXIDE REMOVAL, NAIMAH BINTI HARON, University of Malaya (UM) (Post Graduate Student)
    • THEORETICAL STUDIES OF BIOFERROELECTRICITY IN DNA/RNA NUCLEOBASES AND THEIR BASE PAIRS, YAM SEE CHUAN, University of Malaya (UM) (Post Graduate Student)
    • MOLECULAR DYNAMICS SIMULATIONS OF PHASE BEHAVIOR AND STRUCTURAL STUDIES OF GUANIDINIUM TRIFLATE IONIC LIQUID AND ITS MIXTURE WITH WATER AND N-METHYLDIETHANOLAMINE FOR CARBON DIOXIDE REMOVAL, NAIMAH BINTI HARON, University of Malaya (UM) (Post Graduate Student)
    • THEORETICAL STUDIES OF BIOFERROELECTRICITY IN DNA/RNA NUCLEOBASES AND THEIR BASE PAIRS, YAM SEE CHUAN, University of Malaya (UM) (Post Graduate Student)
    • INTEGRATED IN SILICO TECHNIQUES FOR EXPLOITING THE BIOACTIVITY OF ANTIVIRAL, ANTIDIABETIC AND ANTIMICROBIAL COMPOUNDS, DIYANA BINTI MOHD ISA, University of Malaya (UM) (Post Graduate Student)
    • MOLECULAR DYNAMICS SIMULATIONS OF PHASE BEHAVIOR AND STRUCTURAL STUDIES OF GUANIDINIUM TRIFLATE IONIC LIQUID AND ITS MIXTURE WITH WATER AND N-METHYLDIETHANOLAMINE FOR CARBON DIOXIDE REMOVAL, NAIMAH BINTI HARON, University of Malaya (UM) (Post Graduate Student)
    • THEORETICAL STUDIES OF BIOFERROELECTRICITY IN DNA/RNA NUCLEOBASES AND THEIR BASE PAIRS, YAM SEE CHUAN, University of Malaya (UM) (Post Graduate Student)
    • MOLECULAR DYNAMICS SIMULATIONS OF PHASE BEHAVIOR AND STRUCTURAL STUDIES OF GUANIDINIUM TRIFLATE IONIC LIQUID AND ITS MIXTURE WITH WATER AND N-METHYLDIETHANOLAMINE FOR CARBON DIOXIDE REMOVAL, NAIMAH BINTI HARON, University of Malaya (UM) (Post Graduate Student)
    • INTEGRATED IN SILICO TECHNIQUES FOR EXPLOITING THE BIOACTIVITY OF ANTIVIRAL, ANTIDIABETIC AND ANTIMICROBIAL COMPOUNDS, DIYANA BINTI MOHD ISA, University of Malaya (UM) (Post Graduate Student)
    • MOLECULAR DYNAMICS SIMULATIONS OF PHASE BEHAVIOR AND STRUCTURAL STUDIES OF GUANIDINIUM TRIFLATE IONIC LIQUID AND ITS MIXTURE WITH WATER AND N-METHYLDIETHANOLAMINE FOR CARBON DIOXIDE REMOVAL, NAIMAH BINTI HARON, University of Malaya (UM) (Post Graduate Student)
    • INTEGRATED IN SILICO TECHNIQUES FOR EXPLOITING THE BIOACTIVITY OF ANTIVIRAL, ANTIDIABETIC AND ANTIMICROBIAL COMPOUNDS, DIYANA BINTI MOHD ISA, University of Malaya (UM) (Post Graduate Student)
    • THEORETICAL STUDIES OF BIOFERROELECTRICITY IN DNA/RNA NUCLEOBASES AND THEIR BASE PAIRS, YAM SEE CHUAN, University of Malaya (UM) (Post Graduate Student)
    • INTEGRATED IN SILICO TECHNIQUES FOR EXPLOITING THE BIOACTIVITY OF ANTIVIRAL, ANTIDIABETIC AND ANTIMICROBIAL COMPOUNDS, DIYANA BINTI MOHD ISA, University of Malaya (UM) (Post Graduate Student)
    • INSECTICIDAL ACTIVITY AND MECHANISM OF ACTION OF PHENYLPROPANOIDS ISOLATED FROM PIPER SARMENTOSUM AGAINST STORAGE INSECT PESTS AND MOSQUITO VECTORS, ARSHIA HEMATPOOR, University of Malaya (UM) (Post Graduate Student)
    • THEORETICAL UV-VIS SPECTROSCOPY AND MOLECULAR STIMULATIONS ON DOPED POLYANILINE AS A HYDRAZINE SENSOR, FATIN NADZIRAH BINTI SABRI, University of Malaya (UM) (Post Graduate Student)
    • COMPUTATIONAL STUDY OF COBALT OXIDE: NANOPARTICLES, SURFACES AND THIN FILMS SUPPORTED ON METAL OXIDE SURFACES., ALA' OMAR HASAN ZAYED, University of Malaya (UM) (Post Graduate Student)
    • MOLECULAR DYNAMICS SIMULATIONS OF PHASE BEHAVIOR AND STRUCTURAL STUDIES OF GUANIDINIUM TRIFLATE IONIC LIQUID AND ITS MIXTURE WITH WATER AND N-METHYLDIETHANOLAMINE FOR CARBON DIOXIDE REMOVAL, NAIMAH BINTI HARON, University of Malaya (UM) (Post Graduate Student)
    • MOLECULAR DYNAMICS SIMULATIONS OF PHASE BEHAVIOR AND STRUCTURAL STUDIES OF GUANIDINIUM TRIFLATE IONIC LIQUID AND ITS MIXTURE WITH WATER AND N-METHYLDIETHANOLAMINE FOR CARBON DIOXIDE REMOVAL, NAIMAH BINTI HARON, University of Malaya (UM) (Post Graduate Student)
    • INTEGRATED IN SILICO TECHNIQUES FOR EXPLOITING THE BIOACTIVITY OF ANTIVIRAL, ANTIDIABETIC AND ANTIMICROBIAL COMPOUNDS, DIYANA BINTI MOHD ISA, University of Malaya (UM) (Post Graduate Student)
    • QSAR prediction on peptide inhibitor for dengue virus., Teng Jingxin, University of Malaya (UM) (Post Graduate Student)
    • Antimicrobial peptide susceptibility of Burkholderia pseudomallei, LEE LYN FAY, University of Malaya (UM) (Post Graduate Student)
    • COMPUTATIONAL DESIGN STRATEGY OF PHARMACEUTICAL CO-CRYSTALS: A CASE STUDY OF ANTI-CANCER DRUGS, NADIA HANIM BINTI SABRI, University of Malaya (UM) (Post Graduate Student)
    • EVALUATION OF 2?-HYDROXYCHALCONE AND 4(3H)- QUINAZOLINONE DERIVATIVES AS INHIBITORS OF CHOLINESTERASE AND AMYLOID-? AGGREGATION, SRI DEVI A/P SUKUMARAN, University of Malaya (UM) (Post Graduate Student)
    • THEORETICAL UV-VIS SPECTROSCOPY AND MOLECULAR STIMULATIONS ON DOPED POLYANILINE AS A HYDRAZINE SENSOR, FATIN NADZIRAH BINTI SABRI, University of Malaya (UM) (Post Graduate Student)
    • COMPUTATIONAL STUDY OF COBALT OXIDE: NANOPARTICLES, SURFACES AND THIN FILMS SUPPORTED ON METAL OXIDE SURFACES., ALA' OMAR HASAN ZAYED, University of Malaya (UM) (Post Graduate Student)
    • EVALUATION OF 2?-HYDROXYCHALCONE AND 4(3H)- QUINAZOLINONE DERIVATIVES AS INHIBITORS OF CHOLINESTERASE AND AMYLOID-? AGGREGATION, SRI DEVI A/P SUKUMARAN, University of Malaya (UM) (Post Graduate Student)
    Other
    • DESIGN AND STUDY OF SELECTED FUNCTIONALIZED MONOMERS FOR MOLECULAR SENSING DEVICE, MAIZATHUL AKMAM BINTI A.BAKAR, University of Malaya (UM) (Post Graduate Student)
    • HIV-1 PROTEASE DRUG RESISTANCE ANALYSIS USING VIDEO VISUALIZATION TOOL FROM MOLECULAR DYNAMICS SIMULATIONS, BILAL AFTAB USMAN, University of Malaya (UM) (Post Graduate Student)
    Ongoing
    • Theoretical Study of Ankyrin that Recognizes E Protein of Flaviviruses, CHONG WEI LIM, University of Malaya (UM) (Post Graduate Student)
    • Pharmacophore modeling on peptide inhibitors of dengue virus NS3 protease, Choong Wei Lim, University of Malaya (UM) (Post Graduate Student)
    • MOLECULAR DYNAMICS SIMULATIONS OF DARPINS AS INHIBITORS AGAINST CANCER ASSOCIATED PROTEIN KINASES, VERTIKA GAUTAM, University of Malaya (UM) (Post Graduate Student)
    • Theoretical Study of Ankyrin that Recognizes E Protein of Flaviviruses, CHONG WEI LIM, University of Malaya (UM) (Post Graduate Student)
    • EXPERIMENTAL INVESTIGATION OF BINARY AND TERNARY LIQUID MIXTURES INCLUDING DRUG-SURFACTANT INTERACTIONS: PHYSICOCHEMICAL AND THERMODYNAMICAL ASPECTS AUGMENTED BY THEORETICAL AND COMPUTATIONAL ANALYSIS, ARSHID NABI, University of Malaya (UM) (Post Graduate Student)
    • Evaluation of Antioxidant Activity of Natural Product from Plant Using Horseradish Peroxidase (HRP): Molecular Docking, Molecular Dynamics Simulations, and Kinetics Analysis, VERTIKA GAUTAM, University of Malaya (UM) (Post Graduate Student)
    • PHASE BEHAVIOR AND STRUCTURAL STUDIES OF GUANIDINIUM TRIFLATE IONIC LIQUID AND ITS MIXTURE WITH WATER AND N-METHYLDIETHANOLAMINE FOR CARBON DIOXIDE REMOVAL, NAIMAH HARON, University of Malaya (UM) (Post Graduate Student)
    • COMPUTATIONAL DESIGN OF NOVEL ANKYRIN AS AN APPROACH TO COMBAT HIV-1 VIA THE INTRACELLULAR PATHWAY TARGETING THE VIRAL CAPSID, HANA ATIQAH BINTI ABD KARIM, University of Malaya (UM) (Post Graduate Student)
    • COMPUTATIONAL DESIGN OF NOVEL ANKYRIN AS AN APPROACH TO COMBAT HIV-1 VIA THE INTRACELLULAR PATHWAY TARGETING THE VIRAL CAPSID, HANA ATIQAH BINTI ABD KARIM, University of Malaya (UM) (Post Graduate Student)
    • Evaluation of Antioxidant Activity of Natural Product from Plant Using Horseradish Peroxidase (HRP): Molecular Docking, Molecular Dynamics Simulations, and Kinetics Analysis, VERTIKA GAUTAM, University of Malaya (UM) (Post Graduate Student)
    • INTEGRATED IN SILICO TECHNIQUES FOR EXPLOITING ANTIVIRAL, ANTIDIABETIC AND ANTIMICROBIAL BIOACTIVE COMPOUNDS, DIYANA BINTI MOHD ISA, University of Malaya (UM) (Post Graduate Student)
    • Theoretical Study of Ankyrin that Recognizes E Protein of Flaviviruses, CHONG WEI LIM, University of Malaya (UM) (Post Graduate Student)
    • PHASE BEHAVIOR AND STRUCTURAL STUDIES OF GUANIDINIUM TRIFLATE IONIC LIQUID AND ITS MIXTURE WITH WATER AND N-METHYLDIETHANOLAMINE FOR CARBON DIOXIDE REMOVAL, NAIMAH HARON, University of Malaya (UM) (Post Graduate Student)
    • MOLECULAR MODELLING STUDIES OF DNA OLIGONUCLEOTIDES, YAM SEE CHUAN, University of Malaya (UM) (Post Graduate Student)
    • EXPERIMENTAL INVESTIGATION OF BINARY AND TERNARY LIQUID MIXTURES INCLUDING DRUG-SURFACTANT INTERACTIONS: PHYSICOCHEMICAL AND THERMODYNAMICAL ASPECTS AUGMENTED BY THEORETICAL AND COMPUTATIONAL ANALYSIS, ARSHID NABI, University of Malaya (UM) (Post Graduate Student)
    • MOLECULAR MODELLING STUDIES OF DNA OLIGONUCLEOTIDES, YAM SEE CHUAN, University of Malaya (UM) (Post Graduate Student)
    • Theoretical Studies on Electronic Structure of 5,5'-Dimethyl-2'-phenyl-2H,2'H-[3,4']bipyrazolyl-3'-ol and its tautomer, Cheong Chee Yeong, University of Malaya (UM) (Post Graduate Student)
    PATENT/IPR
    (Product Name),(Type),(Level)
    • Synthetic peptide inhibiting metalloprotease activity, Patent (International)
    COMMERCIALIZATION
    (Product Name),(Industry Type),(Commercial Type),(Role)
    • Insilico analysis of cross reactivity, (Service)
    • Molecular dynamics simulation traning, (Service)
    SOCIAL RESPONSIBILITY ACTIVITIES
    (Contribution to Society),(Duration),(Level)
    • ACS UM ChemFest2020: Global Issue and Sustainable Solutions, 19/12/2020 to 19/12/2020
    ACADEMIC/PROFESSIONAL SERVICES
    Academic/Professional Services
    (Contribution),(Duration),(Level),(Role)
  • Identification of anti-viral therapeutics against evolving viruses, 24/12/2021 to 31/01/2022, International, (External Examiner)
  • Hierarchical and fragment based virtual screening approaches in the discovery of potent acetylcholinesterase inhibitor, 02/12/2021 to 09/02/2022, National, (External Examiner)
  • Multiscale molecular modeling for prediction of EOR surfactant phase behavior, 20/08/2021 to 01/12/2021, National, (External Examiner)
  • Multi-target approach for anti-osteoclastic assay of natural substances, 16/08/2021 to 16/08/2021, International, (External Examiner)
  • Molecular modelling and biological evaluation of peptide based inhibitors for dengue virus, 04/08/2021 to 04/08/2021, National, (External Examiner)
  • Theoretical densigned ankyrin repeat protein for targeting envelope protein dengue virus II, 24/06/2021 to 22/09/2021, University, (Internal Assessor)
  • Molecular dynamics simulations of darpins as inhibitors against cancer associated protein kinases, 11/01/2021 to 06/04/2021, University, (Internal Assessor)
  • AWARD AND STEWARDSHIP
    (Name of Award/Stewardship),(Awarding Institution),(Year Awarded),(Type of Award)
    • Sustainable Development Goals International Innovative Awards, Malaysia Technology Expo, 2021 (EXHIBITION AWARD)
    • Student Chapter Award: Honorable Mention Award, Americal Chemical Society, 2020 (SERVICES)
    • ACS on campus poster award. 2-Aryl-3-(arylideneamino)-1,2-dihydroquinazoline-4(3H)-ones as inhibitors of cholinesterases and self- induced -amyloid (A ) aggregation: biological evaluations and mechanistic insights from molecular dynamics simulations, Sukumaran, S. D., Faraj, F. L., Lee, V. S., Othman, R. & Buckle, M. J. C. Department of Chemistry, Faculty of Science, University of Malaya, Kuala Lumpur, Malaysia & The American Chemical Society (ACS) on Campus, 2019, National. (Poster Presentation), Americal Chemical Society, 2019 (RESEARCH)
    • Certificate for oral presentation in the 1st international conference on applied microbiology, VNUHCM-University of Science, Ho Chi Minh City, Vietnam, 2016 (RESEARCH)
    • Certificate of appreciation as speaker in CADD workshop 2016, USM, 2016 (EDUCATION)
    • Certificate of attendance, Chiang Mai University, 2016 (RESEARCH)
    • Certificate of appreciation in contribution as invited speaker, USM, 2016 (SERVICES)
    • Best oral presentation award,ICPMAT2015,18-20 Nov 2015, Chiang Mai, Thailand., 0th International Conference on the Physical Properties and Application of Advanced Materials (ICPMAT2015), Chiang Mai University, Thailand, 2015 (RESEARCH)
    • Material Lecture Awards 2015: Supervise the student, Ms. Hana Atiqah Abdul Karim, Towards a cure for HIV : In Silico Protein Engineering of a Novel Biomaterial, awarded as the representative of Malaysia for Material Lecture Award,UK, Material Lecture Award,UK, 2015 (RESEARCH)
    CONSULTANCY PROJECT
    (Project title),(Organisation),(Duration),(Role),(Level)
    • Insilico investigation on DNA cross reactivity , Biogene Technologies Sdn Bhd, 01/12/2020 to 01/12/2020 (National)
    • COMPUTATIONAL CHEMISTRY/ MOLECULAR MODELLING / SIMULATIONS, Petronas , 01/12/2020 to 01/12/2020 (National)
    • Yayasan Science to Action, Yayasan Science to Action, 01/01/2017 to 01/01/2025 (National)
    • Modeling and computer simulation studies of sugar based amphiphilic systems, UM, 01/01/2014 to 01/01/2014 (National)
    • MOLECULAR MODELLING OF MUSCARINIC ACETYLCHOLINE RECEPTORS: STRUCTURAL BASIS OF LIGAND-RECEPTOR INTERACTIONS, Faculty of Medicine, University of Malaya, 01/01/2014 to 01/01/2014 (National)
    • Design of novel glycyrrhizic and glycyrrhetic acids analogues as potential treatment for type II diabetes mellitus, Taylor's University, 01/01/2015 to 01/01/2015 (National)
    • Examiner Ph.D conversion Yau Ching Koon (SGR100108) , Dept of Chemistry, Fac of Science, 01/02/2013 to 01/02/2013 (National)
    • Examiner Ph.D Student Sri Devi A/P Sukumaran (MGN090031), Fac of Medicine, 01/02/2012 to 01/02/2012 (National)
    • Reviewer for Physical Chemistry, manuscript jp-2012-12073q,  Physical Chemistry, 01/02/2012 to 01/02/2012 (International)
    PAPER PRESENTED
    (Title),(Event),(Date Presented),(Organiser),(Level)
    PLENARY SPEAKER
  • Molecular Dynamics and Related Method in Drug Discovery, Webinar Computational Approach for Design of Covid-19 Inhibitor, 27/08/2020 to 27/08/2020, Sekelah Tinggi ILMI Farmasi Riau, Indonedia (International)
  • Quasiparticle energies of ground state and excited state of metal clusters using all-electron mixed basis of plane waves (PWs) and atomic orbitals (AOs), ACCMS-ICMG 2020 International Conference on Materials Genome , 05/02/2020 to 07/02/2020, SRM University, Andhra Pradesh (International)
  • INVITED SPEAKER
  • Basic Statistical Mechanics, Computer-aided drug design (CADD) workshop 2016, 30/10/2016 to 02/11/2016, USM (International)
  • MOLECULAR DYNAMICS SIMULATIONS AND GAUSSIAN NETWORK MODEL IN IMPROVING PROTEIN PROTEIN BINDING AFFINITY:HIV AND DENGUE CASES, AS-UM RESEARCH SYMPOSIUM ON LIFE SCIENCES AND PHYSICAL SCIENCES, 27/10/2016 to 28/10/2016, ACADEMIA SINICA, TAIPEI, TAIWAN (International)
  • COMPUTATION STRATEGY TOWARDS INNOVATIVE GREEN AND SUSTAINABILITY RESEARCH, CMU-UM INNOVATIVE GREEN AND SUSTAINABILITY RESEARCH SYMPOSIUM, 08/08/2016 to 09/08/2016, CHIANG MAI UNIVERSITY, THAILAND (International)
  • PROTEIN DYNAMICS AND CONFORMATIONAL DISORDER IN IMPROVING PROTEIN PROTEIN BINDING AFFINITY, THE 20TH INTERNATIONAL ANNUAL SYMPOSIUM ON COMPUTATIONAL SCIENCE AND ENGINEERING (ANSCSE20), 28/07/2016 to 28/07/2016, KASETSART UNIVERSITY, BANGKOK, THAILAND (International)
  • Computer-aided design for protein point mutations for HIV and Dengue research, Computer Aided Drug Design Seminar and Workshop, 08/12/2015 to 10/12/2015
  • Computational aided protein design for HIV and Dengue research, University of Malaya - Academia Sinica (UM-AS)Research Symposium, 18/11/2015 to 18/11/2015 (University)
  • Molecular dynamics simulations in designing protein point mutation , CTP@UM Colloquium on Modeling Cellular Dynamics , 05/11/2015 to 06/11/2015 (University)
  • Molecular dynamics simulations in designing protein point mutation , CTP@UM Colloquium on Modeling Cellular Dynamics , 05/11/2015 to 06/11/2015 (University)
  • Theoretical antiviral protein design targeting HIV-1 capsid through molecular dynamics simulations , The 8th conference of Asian Consortium on Computational Material Science (ACCMS-8), 16/06/2015 to 18/06/2015, IAMS, Taiwan (International)
  • GPU accelerated molecular dynamics simulations for prediction of protein-peptide and protein-protein binding affinity, 40th MSBMB ((MALAYSIAN SOCIETY FOR BIOCHEMISTRY AND MOLECULAR BIOLOGY), 2015, 10/06/2015 to 11/06/2015
  • Screening of new compounds and Structure Guided Drug Design, Drug Development and Discovery Seminar and Workshop, 04/12/2014 to 06/12/2014, Malaysian Institute of Pharmaceutical and Nutraceutical Science (IPHARM) and University of Sains Malaysia
  • Molecular modeling and simulaton of antibody with HIV-1 protease and DENV envelope, JOINT SEMINAR BETWEEN H.E.J. RESEARCH INSTITUTE OF CHEMISTRY, UNIVERSITY OF KARACHI, PAKISTAN WITH CENAR, UNIVERSITY OF MALAYA, 18/12/2012 to 18/12/2012, Department of Chemistry, UM (International)
  • EVENT ORGANISER
  • CONSENSUS MUTATION-BASED PEPTIDE AGAINST DENGUE ENVELOP DOMAIN III FROM MOLECULAR DOCKING AND MOLECULAR DYNAMICS SIMULATIONS, ASIANALYSIS XIII, 08/12/2016 to 10/12/2016, Chaing Mai University, CHIANGMAI, THAILAND (International)
  • Workshop: Gaussain & VASP , The 2nd Institute of Atomic and Molecular Sciences - University of Malaya (IAMS-UM) Research Collaboration Workshop: Gaussain & VASP , 19/11/2015 to 20/11/2015
  • Designed Ankyrin-Repeat Protein for Viral Assembly Interruption, 3rd International Conference on Computation for Science and Technology (ICCST-3), 24, 2014, 22/09/2014 to 24/09/2014
  • ORAL PRESENTER
  • MONTE CARLO SIMULATIONS OF DNA INTERACTED WITH ULTRA-LOW-ENERGY CARBON ATOMS, 3RD GEANT4 SCHOOL & MONTE CARLO WORKSHOP FOR RADIOTHERAPY, IMAGING AND RADIATION PROTECTION, 26/04/2016 to 30/04/2016, UNIVERSITY OF WOLLONGONG, AUSTRALIA (International)
  • Comparison of monte carlo and molecular dynamics simulation of A-DNA double strands irradiated by ultra-low-energy carbon ions, The 19th International Conference on Surface Modification of Materials by Ion Beams (SMMIB-19), 22/11/2015 to 27/11/2015 (National)
  • Binding Residue Interactions of Synthetic Antiviral Peptide Inhibitors against Dengue Virus Entry from Molecular Docking and Dynamics Simulations, 10th International Conference on the Physical Properties and Application of Advanced Materials (ICPMAT2015) , 17/11/2015 to 21/11/2015 (International)
  • Computational aided antibody design based on molecular docking and molecular dynamics simulation, International Symposia on Research towards Green Innovation, 12/01/2015 to 13/01/2015
  • POSTER PRESENTER
  • Investigation of the interaction of antibody with DENV envelope, The 4th Seminar & Workshop on Computer-Aided Drug Design (CADD 2012) Puncak Alam, Malaysia. 3-7 December 2012, 03/12/2012 to 07/12/2012, UiTM (International)
  • PRESENTER
  • Prepare yourself to be a Molecular Modeller: Mindset, Hardware and Software, MolDesign: Prepare yourself to be a Molecular Modeller: Mindset, Hardware and Software, 30/10/2020 to 30/10/2020, MolDesign (National)
  • Automated protein mutation and biomolecular binding studies using nanoparticle tracking analysis and dynamic light scaterring in designing antiviral ankyrin targeting Hiv-1 p24, MGMS, Exploring mechanisms in biology: Theory and Experiment" conference, 25/11/2015 to 27/11/2015, MGMS Singapore 2015 organizing committee (International)