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Issue DateTitleAuthor(s)
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
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-Dec-2019Interactions of HLA-DR and Topoisomerase I Epitope Modulated Genetic Risk for Systemic SclerosisSirilak Kongkaew; Thanyada Rungrotmongkol; Chutintorn Punwong; Hiroshi Noguchi; Fujio Takeuchi; Nawee Kungwan; Peter Wolschann; 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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