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Issue Date	Title	Author(s)
2015	ADSORPTION AND DIFFUSION OF GUEST MOLECULES IN ZEOLITIC IMIDAZOLATE FRAMEWORK-90 BY COMPUTER SIMULATIONS	Phuong Thuy Vo
2018	Anticancer activity of mansonone G derivatives against human non-small cell lung cancer: computational and mechanistic study	Panupong Mahalapbutr
2013	BINDING AND DYNAMICS OF HEPATITIS C VIRUS NS3/4A SERINE PROTEASE AND INFLUENZA A NEURAMINIDASE IN COMPLEXATION WITH INHIBITORS BY MM AND QM/MM SIMULATIONS	Arthitaya Meeprasert
2022	Catalytic mechanism and inhibition of Plasmodium sp. serine hydroxymethyltransferase by computational simulations	Pitchayathida Mee-udorn
2022	Computational approaches for identifying bioactive compounds inhibiting SARS-CoV-2 main protease	Piyatida Pojtanadithee
2015	Conformations and permeation mechanism into lipid bilayer of cyclodextrins	Wasinee Khuntawee
2018	Development and screening of chalcones against cancer protein targets using in silico and in vitro techniques	Kanyani Sangpheak
2020	Discovery of Natural Compounds and Derivatives with Inhibitory Activity against NS2B/NS3 Serine Protease of Zika Virus by Computational Approaches	Wachirapol Manimont
2018	Drug resistance mechanism of ns3/4a protease and identification of potent compounds inhibiting reverse transcriptase of hepatitis virus	Jirayu Kammarabutr
2020	Effect of pyridoxal phosphate and tetrahydrofolate bound on human serine hydroxymethyltransferase by molecular dynamic simulation	Peerapong Wongpituk
2015	EFFECTS OF ELECTRON DONORS ON ZIEGLER-NATTA CATALYZED ETHYLENE POLYMERIZATION AND COPOLYMERIZATION WITH 1-HEXENE BY QUANTUM CHEMICAL CALCULATIONS	Sutiam Kruawan
2012	Effects of substituents on the 5-position of deoxyuridinemonophosphate on the thiolate addition in thymidylate synthase using QM/MM technique	Nopporn Kaiyawet
2016	Enzymatic and computational analysis of large-ring cyclodextrin production by Corynebacterium glutamicum amylomaltase	Sirikul Ngawiset
2014	IDENTIFICATION OF TARGET PROTEIN OF ALPHA-2-MACROGLOBULIN FROM WHITE SHRIMP Litopenaeus vannamei BY BIOCHEMICAL AND MOLECULAR MODELING TECHNIQUES	Witchanon Wongbaucheun
2021	Improvement of selection criteria and prioritisation for neoantigen prediction	Phorutai Pearngam
2021	In silico and in vitro screening of newly designed compounds against coxsackivirus A16 and enterovirus A71	Amita Sripattaraphan
2021	In silico and in vitro studies on inclusion complexation of anthraquinone derivatives with beta-cyclodextrin derivatives	Amy Oo
2016	Interaction between Sweet Taste Receptor and Sweet-Tasting Proteins by using Molecular Dynamics Simulation	Nutsarun Wangsawangrung
2017	Molecular dynamics of single-wall carbon nanotube wrapped with polypropylene	Wanwisa Panman
2018	Molecular modeling on potent compounds toward envelope proteins of dengue and zika viruses	Kowit Hengphasatporn

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