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Results 11-17 of 17 (Search time: 0.01 seconds).
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Issue Date
Title
Author(s)
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
1-Jan-2018
The inclusion complexation of daidzein with β-cyclodextrin and 2,6-dimethyl-β-cyclodextrin: a theoretical and experimental study
Thanyada Rungrotmongkol
;
Tipsuda Chakcharoensap
;
Piamsook Pongsawasdi
;
Nawee Kungwan
;
Peter Wolschann
16-Jan-2019
Cavity closure of 2-hydroxypropyl-β-cyclodextrin: Replica exchange molecular dynamics simulations
Khanittha Kerdpol
;
Jintawee Kicuntod
;
Peter Wolschann
;
Seiji Mori
;
Chompoonut Rungnim
;
Manaschai Kunaseth
;
Hisashi Okumura
;
Nawee Kungwan
;
Thanyada Rungrotmongkol
15-Aug-2019
Encapsulation of alpha-mangostin and hydrophilic beta-cyclodextrins revealed by all-atom molecular dynamics simulations
Wiparat Hotarat
;
Sarunya Phunpee
;
Chompoonut Rungnim
;
Peter Wolschann
;
Nawee Kungwan
;
Uracha Ruktanonchai
;
Thanyada Rungrotmongkol
;
Supot Hannongbua
2-Feb-2021
Effect of water microsolvation on the excited-state proton transfer of 3-hydroxyflavone enclosed in -cyclodextrin
Khanittha Kerdpol
;
Rathawat Daengngern
;
Chanchai Sattayanon
;
Supawadee Namuangruk
;
Thanyada Rungrotmongkol
;
Peter Wolschann
;
Nawee Kungwan
;
Supot Hannongbua
Discover
Author
15
Thanyada Rungrotmongkol
5
Piamsook Pongsawasdi
5
Supot Hannongbua
4
Chompoonut Rungnim
3
Bodee Nutho
3
Jintawee Kicuntod
3
Rathawat Daengngern
3
Warinthorn Chavasiri
3
Wasinee Khuntawee
2
Adélia J.A. Aquino
.
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