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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
5-May-2016Conformation study of ε-cyclodextrin: Replica exchange molecular dynamics simulationsWasinee Khuntawee; Thanyada Rungrotmongkol; Peter Wolschann; Piamsook Pongsawasdi; Nawee Kungwan; Hisashi Okumura; Supot Hannongbua
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-Feb-2018Structure and electronic properties of deformed single-walled carbon nanotubes: quantum calculationsSomphob Thompho; Oraphan Saengsawang; Thanyada Rungrotmongkol; Nawee Kungwan; Supot Hannongbua
15-Jul-2017Ethylene insertion in the presence of new alkoxysilane electron donors for Ziegler-Natta catalyzed polyethyleneSutiam Kruawan; Manussada Ratanasak; Rungroj Chanajaree; Thanyada Rungrotmongkol; Oraphan Saengsawang; Vudhichai Parasuk; Nawee Kungwan; 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-May-2019Conjugated biopolymer-assisted the binding of polypropylene toward single-walled carbon nanotube: A molecular dynamics simulationWanwisa Panman; Panupong Mahalapbutr; Oraphan Saengsawang; Chompoonut Rungnim; Nawee Kungwan; Thanyada Rungrotmongkol; Supot Hannongbua
15-Aug-2019Encapsulation of alpha-mangostin and hydrophilic beta-cyclodextrins revealed by all-atom molecular dynamics simulationsWiparat Hotarat; Sarunya Phunpee; Chompoonut Rungnim; Peter Wolschann; Nawee Kungwan; Uracha Ruktanonchai; Thanyada Rungrotmongkol; Supot Hannongbua
2-Feb-2021Effect of water microsolvation on the excited-state proton transfer of 3-hydroxyflavone enclosed in -cyclodextrinKhanittha Kerdpol; Rathawat Daengngern; Chanchai Sattayanon; Supawadee Namuangruk; Thanyada Rungrotmongkol; Peter Wolschann; Nawee Kungwan; Supot Hannongbua

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