Simultaneous analyses of photoinduced electron transfer in the wild type and four single substitution isomers of the FMN binding protein from Desulfovibrio vulgaris, Miyazaki F

by Nadtanet Nunthaboot, Somsak Pianwanit, Sirirat Kokpol, Fumio Tanaka
Published 2018

Metadynamics supports molecular dynamics simulation-based binding affinities of eucalyptol and beta-cyclodextrin inclusion complexes

by Bodee Nutho, Nadtanet Nunthaboot, Peter Wolschann, Nawee Kungwan, Thanyada Rungrotmongkol
Published 2018

Metadynamics supports molecular dynamics simulation-based binding affinities of eucalyptol and beta-cyclodextrin inclusion complexes

by Bodee Nutho, Nadtanet Nunthaboot, Peter Wolschann, Nawee Kungwan, Thanyada Rungrotmongkol
Published 2018

Exploring of paritaprevir and glecaprevir resistance due to A156T mutation of HCV NS3/4A protease: molecular dynamics simulation study

by Thitiya Boonma, Bodee Nutho, Nitchakan Darai, Thanyada Rungrotmongkol, Nadtanet Nunthaboot
Published 2021

Molecular insights into complex formation between scandenin and various types of β-cyclodextrin

by Thitiya Boonma, Bodee Nutho, Bunleu Sungthong, Ployvadee Sripadung, Thanyada Rungrotmongkol, Nadtanet Nunthaboot
Published 2022

Structural dynamics and binding free energy of neral-cyclodextrins inclusion complexes: Molecular dynamics simulation

by Peerapong Wongpituk, Bodee Nutho, Wanwisa Panman, Nawee Kungwan, Peter Wolschann, Thanyada Rungrotmongkol, Nadtanet Nunthaboot
Published 2018

Structural dynamics and binding free energy of neral-cyclodextrins inclusion complexes: Molecular dynamics simulation

by Peerapong Wongpituk, Bodee Nutho, Wanwisa Panman, Nawee Kungwan, Peter Wolschann, Thanyada Rungrotmongkol, Nadtanet Nunthaboot
Published 2018

Time-resolved Stokes shift in proteins with continuum model: Slow dynamics in proteins

by Rong Rujkorakarn, Nadtanet Nunthaboot, Fumio Tanaka, Pimchai Chaiyen, Haik Chosrowjan, Seiji Taniguchi, Noboru Mataga
Published 2018

How does each substituent functional group of oseltamivir lose its activity against virulent H5N1 influenza mutants?

by Thanyada Rungrotmongkol, Thanyarat Udommaneethanakit, Maturos Malaisree, Nadtanet Nunthaboot, Pathumwadee Intharathep, Pornthep Sompornpisut, Supot Hannongbua
Published 2018

A density functional investigation of 1,3-bis(4-nitrophenyl)urea as anion receptor

by Banchob Wanno, Wandee Rakrai, Somchai Keawwangchai, Neramit Morakot, Nongnit Morakot, Nadtanet Nunthaboot, Vithaya Ruangpornvisuti
Published 2018

Evaluating how rimantadines control the proton gating of the influenza A M2-proton port via allosteric binding outside of the M2-channel: MD simulations

by Pathumwadee Intharathep, Thanyada Rungrotmongkol, Panita Decha, Nadtanet Nunthaboot, Nopphorn Kaiyawet, Teerakiat Kerdcharoen, Pornthep Sompornpisut, Supot Hannongbua
Published 2018