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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-Jan-2016Inclusion complexation of pinostrobin with various cyclodextrin derivativesJintawee Kicuntod; Wasinee Khuntawee; Peter Wolschann; Piamsook Pongsawasdi; Warinthorn Chavasiri; Nawee Kungwan; Thanyada Rungrotmongkol
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-Jan-2018Molecular insights into inclusion complexes of mansonone E and H enantiomers with various β-cyclodextrinsPanupong Mahalapbutr; Bodee Nutho; Peter Wolschann; Warinthorn Chavasiri; Nawee Kungwan; Thanyada Rungrotmongkol
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-Jan-2017Structural dynamics and binding free energy of neral-cyclodextrins inclusion complexes: Molecular dynamics simulationPeerapong Wongpituk; Bodee Nutho; Wanwisa Panman; Nawee Kungwan; Peter Wolschann; Thanyada Rungrotmongkol; Nadtanet Nunthaboot
1-Jun-2019Low susceptibility of asunaprevir towards R155K and D168A point mutations in HCV NS3/4A protease: A molecular dynamics simulationJirayu Kammarabutr; Panupong Mahalapbutr; Bodee Nutho; Nawee Kungwan; Thanyada Rungrotmongkol

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