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Issue Date
Title
Author(s)
1-Jan-2017
Metadynamics supports molecular dynamics simulation-based binding affinities of eucalyptol and beta-cyclodextrin inclusion complexes
Bodee Nutho
;
Nadtanet Nunthaboot
;
Peter Wolschann
;
Nawee Kungwan
;
Thanyada Rungrotmongkol
24-Apr-2017
Comparison of Implicit and Explicit Solvation Models for Iota-Cyclodextrin Conformation Analysis from Replica Exchange Molecular Dynamics
Wasinee Khuntawee
;
Manaschai Kunaseth
;
Chompoonut Rungnim
;
Suradej Intagorn
;
Peter Wolschann
;
Nawee Kungwan
;
Thanyada Rungrotmongkol
;
Supot Hannongbua
1-Jan-2017
Structural dynamics and binding free energy of neral-cyclodextrins inclusion complexes: Molecular dynamics simulation
Peerapong Wongpituk
;
Bodee Nutho
;
Wanwisa Panman
;
Nawee Kungwan
;
Peter Wolschann
;
Thanyada Rungrotmongkol
;
Nadtanet Nunthaboot
1-Dec-2017
Molecular recognition of naphthoquinone-containing compounds against human DNA topoisomerase IIα ATPase domain: A molecular modeling study
Panupong Mahalapbutr
;
Phakawat Chusuth
;
Nawee Kungwan
;
Warinthorn Chavasiri
;
Peter Wolschann
;
Thanyada Rungrotmongkol
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Bodee Nutho
2
Nadtanet Nunthaboot
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Chompoonut Rungnim
1
Manaschai Kunaseth
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Panupong Mahalapbutr
1
Peerapong Wongpituk
1
Phakawat Chusuth
1
Supot Hannongbua
1
Suradej Intagorn
1
Wanwisa Panman
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