3D-QSAR and molecular dynamics simulations of HIV-1 integrase and its complex with inhibitors

بواسطة Nadtanet Nunthaboot
منشور في 2006

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

بواسطة Nadtanet Nunthaboot, Somsak Pianwanit, Sirirat Kokpol, Fumio Tanaka
منشور في 2018

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

بواسطة Bodee Nutho, Nadtanet Nunthaboot, Peter Wolschann, Nawee Kungwan, Thanyada Rungrotmongkol
منشور في 2018

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

بواسطة Bodee Nutho, Nadtanet Nunthaboot, Peter Wolschann, Nawee Kungwan, Thanyada Rungrotmongkol
منشور في 2018

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

بواسطة Thitiya Boonma, Bodee Nutho, Nitchakan Darai, Thanyada Rungrotmongkol, Nadtanet Nunthaboot
منشور في 2021

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

بواسطة Thitiya Boonma, Bodee Nutho, Bunleu Sungthong, Ployvadee Sripadung, Thanyada Rungrotmongkol, Nadtanet Nunthaboot
منشور في 2022

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

بواسطة Peerapong Wongpituk, Bodee Nutho, Wanwisa Panman, Nawee Kungwan, Peter Wolschann, Thanyada Rungrotmongkol, Nadtanet Nunthaboot
منشور في 2018

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

بواسطة Peerapong Wongpituk, Bodee Nutho, Wanwisa Panman, Nawee Kungwan, Peter Wolschann, Thanyada Rungrotmongkol, Nadtanet Nunthaboot
منشور في 2018

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

بواسطة Rong Rujkorakarn, Nadtanet Nunthaboot, Fumio Tanaka, Pimchai Chaiyen, Haik Chosrowjan, Seiji Taniguchi, Noboru Mataga
منشور في 2018

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

بواسطة Thanyada Rungrotmongkol, Thanyarat Udommaneethanakit, Maturos Malaisree, Nadtanet Nunthaboot, Pathumwadee Intharathep, Pornthep Sompornpisut, Supot Hannongbua
منشور في 2018

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

بواسطة Banchob Wanno, Wandee Rakrai, Somchai Keawwangchai, Neramit Morakot, Nongnit Morakot, Nadtanet Nunthaboot, Vithaya Ruangpornvisuti
منشور في 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

بواسطة Pathumwadee Intharathep, Thanyada Rungrotmongkol, Panita Decha, Nadtanet Nunthaboot, Nopphorn Kaiyawet, Teerakiat Kerdcharoen, Pornthep Sompornpisut, Supot Hannongbua
منشور في 2018