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Issue DateTitleAuthor(s)
17-Jun-2015Binding specificity of polypeptide substrates in NS2B/NS3pro serine protease of dengue virus type 2: A molecular dynamics StudyPathumwadee Yotmanee; Thanyada Rungrotmongkol; Kanin Wichapong; Sy Bing Choi; Habibah A. Wahab; Nawee Kungwan; Supot Hannongbua
1-Apr-2016How strong is the edge effect in the adsorption of anticancer drugs on a graphene cluster?Chompoonut Rungnim; Rungroj Chanajaree; Thanyada Rungrotmongkol; Supot Hannongbua; Nawee Kungwan; Peter Wolschann; Alfred Karpfen; Vudhichai Parasuk
1-Oct-2016Role of R292K mutation in influenza H7N9 neuraminidase toward oseltamivir susceptibility: MD and MM/PB(GB)SA studyJiraphorn Phanich; Thanyada Rungrotmongkol; Nawee Kungwan; Supot Hannongbua
1-Nov-2006Structural and dynamical properties of different protonated states of mutant HIV-1 protease complexed with the saquinavir inhibitor studied by molecular dynamics simulationsOrnjira Aruksakunwong; Kitiyaporn Wittayanarakul; Pornthep Sompornpisut; Vannajan Sanghiran; Vudthichai Parasuk; Supot Hannongbua
1-Jul-2009Litchi chinensis-derived terpenoid as anti-HIV-1 protease agent: Structural design from molecular dynamics simulationsPiyarat Nimmanpipug; Vannajan S. Lee; Peter Wolschann; Supot Hannongbua
24-Apr-2017Comparison of Implicit and Explicit Solvation Models for Iota-Cyclodextrin Conformation Analysis from Replica Exchange Molecular DynamicsWasinee Khuntawee; Manaschai Kunaseth; Chompoonut Rungnim; Suradej Intagorn; Peter Wolschann; Nawee Kungwan; Thanyada Rungrotmongkol; Supot Hannongbua
1-Mar-2005Structure, dynamics and solvation of HIV-1 protease/saquinavir complex in aqueous solution and their contributions to drug resistance: Molecular dynamic simulationsKitiyaporn Wittayanarakul; Ornjira Aruksakunwong; Pornthep Sompornpisut; Vannajan Sanghiran-Lee; Vudhichai Parasuk; Surapong Pinitglang; Supot Hannongbua
1-Sep-2007Structural analysis of lead fullerene-based inhibitor bound to human immunodeficiency virus type 1 protease in solution from molecular dynamics simulationsVannajan S. Lee; Piyarat Nimmanpipug; Ornjira Aruksakunwong; Siriporn Promsri; Pornthep Sompornpisut; Supot Hannongbua

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