Macrocyclic effect and conformational analysis of the mixed-donor macrocycle 12-ane N<inf>2</inf>O<inf>2</inf>by means of quantum chemical methods

by Supot Hannongbua
Published 2018

Ab initio study of ion-ammonia complexes: Geometry and many-body interactions

by Teerakiat Kerdcharoen, Supot Hannongbua
Published 2018

Catalytic properties of a free hydroxyl on a silica, a zeolite, and modified zeolites: quantum-chemical model calculations

by Jumras Limtrakul, Supa Hannongbua
Published 2018

Monte Carlo simulations of a magnesium ion in liquid ammonia

by Supot Hannongbua, Bernd M. Rode
Published 2018

A study of the influence of Na[superscript +] on the conformation of glycine zwitterion in aqueous solution

by Sirirat Kokpol, Supot Hannongbua, Prayong Doungdee
Published 2009

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

Structural insights into the interactions of phorbol ester and bryostatin complexed with protein kinase C: a comparative molecular dynamics simulation study

by Thangsunan P., Tateing S., Hannongbua S., Suree N.
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

Predicting the Binding Affinity of P38 Map Kinase Inhibitors using Free Energy Calculations

by Warabhorn Boonyarat, Patchreenart Saparpakorn, Supa Hannongbua
Published 2019

Simulations of liquid ammonia based on the combined Quantum Mechanical/Molecular Mechanical (QM/MM) approach

by Anan Tongraar, Teerakiat Kerdcharoen, Supot Hannongbua
Published 2018

The structure of supercritical ammonia as studied by molecular dynamics simulations

by M. Kiselev, T. Kerdcharoen, S. Hannongbua, K. Heinzinger
Published 2018

The hydration structure of 18-crown-6/K⁺complex as studied by Monte Carlo simulation using ab initio fitted potential

by Sriprajak Krongsuk, Teerakiat Kerdcharoen, Supot Hannongbua
Published 2018

How many water molecules in the hydration shell of 18-crown-6? Monte Carlo simulations based on ab initio-derived potential energy surface

by Sriprajak Krongsuk, Teerakiat Kerdcharoen, Supot Hannongbua
Published 2018

Charge transfer, polarizability and stability of Li-C<inf>60</inf>complexes

by Thammarat Aree, Teerakiat Kerdcharoen, Supot Hannongbua
Published 2018

Insight into free energy and dynamic cross-correlations of residue for binding affinity of antibody and receptor binding domain SARS-CoV-2

by Chong, Wei Lim, Saparpakorn, Patchareenart, Sangma, Chak, Lee, Vannajan Sanghiran, Hannongbua, Supa
Published 2023

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

Litchi chinensis-derived terpenoid as anti-HIV-1 protease agent: Structural design from molecular dynamics simulations

by Nimmanpipug P., Lee V.S., Wolschann P., Hannongbua S.
Published 2014

Nuclear quantum effect and temperature dependency on the hydrogen-bonded structure of 7-azaindole dimer

by Kungwan N., Ogata Y., Hannongbua S., Tachikawa M.
Published 2014

A DFT study of the unusual substrate-assisted mechanism of Serratia marcescens chitinase B reveals the role of solvent and mutational effect on catalysis

by Jitonnom,J., Sattayanon,C., Kungwan,N., Hannongbua,S.
Published 2015