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Issue DateTitleAuthor(s)
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-Jan-2016Inclusion complexation of pinostrobin with various cyclodextrin derivativesJintawee Kicuntod; Wasinee Khuntawee; Peter Wolschann; Piamsook Pongsawasdi; Warinthorn Chavasiri; Nawee Kungwan; Thanyada Rungrotmongkol
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
1-Sep-2018Theoretical analysis of orientations and tautomerization of genistein in β-cyclodextrinChonnikan Hanpaibool; Tipsuda Chakcharoensap; Arifin; Yuh Hijikata; Stephan Irle; Peter Wolschann; Nawee Kungwan; Piamsook Pongsawasdi; Puey Ounjai; Thanyada Rungrotmongkol
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-Dec-2017Molecular recognition of naphthoquinone-containing compounds against human DNA topoisomerase IIα ATPase domain: A molecular modeling studyPanupong Mahalapbutr; Phakawat Chusuth; Nawee Kungwan; Warinthorn Chavasiri; Peter Wolschann; Thanyada Rungrotmongkol
16-Jan-2019Cavity closure of 2-hydroxypropyl-β-cyclodextrin: Replica exchange molecular dynamics simulationsKhanittha Kerdpol; Jintawee Kicuntod; Peter Wolschann; Seiji Mori; Chompoonut Rungnim; Manaschai Kunaseth; Hisashi Okumura; Nawee Kungwan; Thanyada Rungrotmongkol
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

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