Binding hotspot and activation mechanism of maltitol and lactitol toward the Human Sweet Taste Receptor

by Mahalapbutr, Panupong, Lee, Vannajan Sanghiran, Rungrotmongkol, Thanyada
Published 2020

Protein–protein interactions between SWCNT/chitosan/EGF and EGF receptor: a model of drug delivery system

by Rungnim C., Rungrotmongkol T., Kungwan N., Hannongbua S.
Published 2017

Role of R292K mutation in influenza H7N9 neuraminidase toward oseltamivir susceptibility: MD and MM/PB(GB)SA study

by Phanich J., Rungrotmongkol T., Kungwan N., Hannongbua S.
Published 2017

Effect of D168V mutation in NS3/4A HCV protease on susceptibilities of faldaprevir and danoprevir

by Meeprasert A., Hannongbua S., Kungwan N., Rungrotmongkol T.
Published 2017

Binding pattern and susceptibility of epigallocatechin gallate against envelope protein homodimer of Zika virus: A molecular dynamics study

by Kowit Hengphasatporn, Nawee Kungwan, Thanyada Rungrotmongkol
Published 2018

Structure and electronic properties of deformed single-walled carbon nanotubes: quantum calculations

by Thompho S., Saengsawang O., Rungrotmongkol T., Kungwan N., Hannongbua S.
Published 2017

Effect of D168V mutation in NS3/4A HCV protease on susceptibilities of faldaprevir and danoprevir

by Arthitaya Meeprasert, Supot Hannongbua, Nawee Kungwan, Thanyada Rungrotmongkol
Published 2018

Role of R292K mutation in influenza H7N9 neuraminidase toward oseltamivir susceptibility: MD and MM/PB(GB)SA study

by Jiraphorn Phanich, Thanyada Rungrotmongkol, Nawee Kungwan, Supot Hannongbua
Published 2018

Protein–protein interactions between SWCNT/chitosan/EGF and EGF receptor: a model of drug delivery system

by Chompoonut Rungnim, Thanyada Rungrotmongkol, Nawee Kungwan, Supot Hannongbua
Published 2018

Understanding the effect of transition metals and vacancy boron nitride catalysts on activity and selectivity for CO2 reduction reaction to valuable products: A DFT-D3 study

by Mudchimo, Tanabat, Takahashi, Kaito, Mano, Poobodin, Lee, Vannajan Sanghiran, Rungrotmongkol, Thanyada, Namuangruk, Supawadee
Published 2022

Theoretical studies on RNA recognition by Musashi 1 RNA-binding protein

by Darai, Nitchakan, Mahalapbutr, Panupong, Wolschann, Peter, Lee, Vannajan Sanghiran, Wolfinger, Michael T., Rungrotmongkol, Thanyada
Published 2022

Screening of hepatitis C NS5B polymerase inhibitors containing benzothiadiazine core: a steered molecular dynamics

by Nutho B., Meeprasert A., Chulapa M., Kungwan N., Rungrotmongkol T.
Published 2017

Structure and electronic properties of deformed single-walled carbon nanotubes: quantum calculations

by Somphob Thompho, Oraphan Saengsawang, Thanyada Rungrotmongkol, Nawee Kungwan, Supot Hannongbua
Published 2018

The inclusion complexation of daidzein with β-cyclodextrin and 2,6-dimethyl-β-cyclodextrin: a theoretical and experimental study

by Thanyada Rungrotmongkol, Tipsuda Chakcharoensap, Piamsook Pongsawasdi, Nawee Kungwan, Peter Wolschann
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

Screening of hepatitis C NS5B polymerase inhibitors containing benzothiadiazine core: a steered molecular dynamics

by Bodee Nutho, Arthitaya Meeprasert, Methat Chulapa, Nawee Kungwan, Thanyada Rungrotmongkol
Published 2018

Screening of hepatitis C NS5B polymerase inhibitors containing benzothiadiazine core: a steered molecular dynamics

by Bodee Nutho, Arthitaya Meeprasert, Methat Chulapa, 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

Low susceptibility of asunaprevir towards R155K and D168A point mutations in HCV NS3/4A protease: A molecular dynamics simulation

by Jirayu Kammarabutr, Panupong Mahalapbutr, Bodee Nutho, Nawee Kungwan, Thanyada Rungrotmongkol
Published 2019

Glycan binding and specificity of viral influenza neuraminidases by classical molecular dynamics and replica exchange molecular dynamics simulations

by Jiraphorn Phanich, Siraphob Threeracheep, Nawee Kungwan, Thanyada Rungrotmongkol, Supot Hannongbua
Published 2018