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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-Mar-2005
Structure, dynamics and solvation of HIV-1 protease/saquinavir complex in aqueous solution and their contributions to drug resistance: Molecular dynamic simulations
Kitiyaporn Wittayanarakul
;
Ornjira Aruksakunwong
;
Pornthep Sompornpisut
;
Vannajan Sanghiran-Lee
;
Vudhichai Parasuk
;
Surapong Pinitglang
;
Supot Hannongbua
28-May-2019
Projector-Based Embedding Eliminates Density Functional Dependence for QM/MM Calculations of Reactions in Enzymes and Solution
Kara E. Ranaghan
;
Darya Shchepanovska
;
Simon J. Bennie
;
Narin Lawan
;
Stephen J. Macrae
;
Jolanta Zurek
;
Frederick R. Manby
;
Adrian J. Mulholland
28-Dec-2020
IUmami-SCM: A Novel Sequence-Based Predictor for Prediction and Analysis of Umami Peptides Using a Scoring Card Method with Propensity Scores of Dipeptides
Phasit Charoenkwan
;
Janchai Yana
;
Chanin Nantasenamat
;
Md Mehedi Hasan
;
Watshara Shoombuatong
24-Jan-2022
QM/MM Molecular Modeling Reveals Mechanism Insights into Flavin Peroxide Formation in Bacterial Luciferase
Narin Lawan
;
Ruchanok Tinikul
;
Panida Surawatanawong
;
Adrian J. Mulholland
;
Pimchai Chaiyen
Discover
Author
1
Kitiyaporn Wittayanarakul
1
Manaschai Kunaseth
1
Md Mehedi Hasan
1
Nawee Kungwan
1
Ornjira Aruksakunwong
1
Panida Surawatanawong
1
Peter Wolschann
1
Phasit Charoenkwan
1
Pimchai Chaiyen
1
Pornthep Sompornpisut
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Date issued
2
2020 - 2022
2
2010 - 2019
1
2005 - 2009