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Issue Date
Title
Author(s)
15-Jan-2019
Binding pattern and susceptibility of epigallocatechin gallate against envelope protein homodimer of Zika virus: A molecular dynamics study
Kowit Hengphasatporn
;
Nawee Kungwan
;
Thanyada Rungrotmongkol
15-Apr-2019
A MnN4 moiety embedded graphene as a magnetic gas sensor for CO detection: A first principle study
Sarawoot Impeng
;
Anchalee Junkaew
;
Phornphimon Maitarad
;
Nawee Kungwan
;
Dengsong Zhang
;
Liyi Shi
;
Supawadee Namuangruk
1-May-2019
Conjugated biopolymer-assisted the binding of polypropylene toward single-walled carbon nanotube: A molecular dynamics simulation
Wanwisa Panman
;
Panupong Mahalapbutr
;
Oraphan Saengsawang
;
Chompoonut Rungnim
;
Nawee Kungwan
;
Thanyada Rungrotmongkol
;
Supot Hannongbua
1-Jun-2019
Low susceptibility of asunaprevir towards R155K and D168A point mutations in HCV NS3/4A protease: A molecular dynamics simulation
Jirayu Kammarabutr
;
Panupong Mahalapbutr
;
Bodee Nutho
;
Nawee Kungwan
;
Thanyada Rungrotmongkol
1-Jan-2019
Effects of π-expansion, an additional hydroxyl group, and substitution on the excited state single and double proton transfer of 2-hydroxybenzaldehyde and its relative compounds: TD-DFT static and dynamic study
Chanatkran Prommin
;
Khanittha Kerdpol
;
Tinnakorn Saelee
;
Nawee Kungwan
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
15-Jul-2019
Excited-state intramolecular proton transfer reactions of 2,5-bis(2′-benzoxazolyl)hydroquinone and its water cluster exhibiting single and double proton transfer: A TD-DFT dynamics simulation
Rathawat Daengngern
;
Rusrina Salaeh
;
Tinnakorn Saelee
;
Khanittha Kerdpol
;
Nawee Kungwan
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Thanyada Rungrotmongkol
3
Chompoonut Rungnim
3
Khanittha Kerdpol
2
Panupong Mahalapbutr
2
Peter Wolschann
2
Supot Hannongbua
2
Tinnakorn Saelee
1
Anchalee Junkaew
1
Bodee Nutho
1
Chanatkran Prommin
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Chemistry
5
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Biochemistry, Genetics and Molecu...
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