Supot Hannongbua

发表

Effect of Halogen Substitutions on dUMP to Stability of Thymidylate Synthase/dUMP/mTHF Ternary Complex Using Molecular Dynamics Simulation

Nopporn Kaiyawet, Thanyada Rungrotmongkol, Supot Hannongbua, 2013, J. Chem. Inf. Model..

Evolution of Human Receptor Binding Affinity of H1N1 Hemagglutinins from 1918 to 2009 Pandemic Influenza A Virus

Nopporn Kaiyawet, Thanyada Rungrotmongkol, Supot Hannongbua, 2010, J. Chem. Inf. Model..

Molecular Dynamics Simulations of the Interaction of Beta Cyclodextrin with a Lipid Bilayer

Thanyada Rungrotmongkol, Supot Hannongbua, Peter Wolschann, 2015, J. Chem. Inf. Model..

Key Binding and Susceptibility of NS3/4A Serine Protease Inhibitors against Hepatitis C Virus

Thanyada Rungrotmongkol, Supot Hannongbua, Arthitaya Meeprasert, 2014, J. Chem. Inf. Model..

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

Thanyada Rungrotmongkol, Supot Hannongbua, Jiraphorn Phanich, 2016, Journal of Computer-Aided Molecular Design.

Structure, Dynamics and Solvation of HIV-1 Protease/Saquinavir Complex in Aqueous Solution and Their Contributions to Drug Resistance: Molecular Dynamic Simulations

Supot Hannongbua, Pornthep Sompornpisut, Vudhichai Parasuk, 2005, J. Chem. Inf. Model..

Comparison of Implicit and Explicit Solvation Models for Iota-Cyclodextrin Conformation Analysis from Replica Exchange Molecular Dynamics

Thanyada Rungrotmongkol, Supot Hannongbua, Peter Wolschann, 2017, J. Chem. Inf. Model..

Molecular Dynamic Behavior and Binding Affinity of Flavonoid Analogues to the Cyclin Dependent Kinase 6/cyclin D Complex

Thanyada Rungrotmongkol, Supot Hannongbua, Wasinee Khuntawee, 2012, J. Chem. Inf. Model..

Accurate prediction of protonation state as a prerequisite for reliable MM‐PB(GB)SA binding free energy calculations of HIV‐1 protease inhibitors

Supot Hannongbua, Michael Feig, Kitiyaporn Wittayanarakul, 2008, J. Comput. Chem..

Why Amantadine Loses Its Function in Influenza M2 Mutants: MD Simulations

Thanyada Rungrotmongkol, Supot Hannongbua, Maturos Malaisree, 2009, J. Chem. Inf. Model..

On the correlation between drug-resistant pattern of HIV-1 protease inhibitors and binding free energy and structural changes

Supot Hannongbua, Michael Feig, Kitiyaporn Wittayanarakul, 2007, BMC Systems Biology.

Molecular Dynamic and Free Energy Studies of Primary Resistance Mutations in HIV-1 Protease-Ritonavir Complexes

Supot Hannongbua, Pornthep Sompornpisut, Peter Wolschann, 2006, J. Chem. Inf. Model..

Source of oseltamivir resistance in avian influenza H5N1 virus with the H274Y mutation

Thanyada Rungrotmongkol, Supot Hannongbua, Nadtanet Nunthaboot, 2009, Amino Acids.

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

Supot Hannongbua, Pathumwadee Intharathep, S. Hannongbua, 2011, Journal of enzyme inhibition and medicinal chemistry.

How amantadine and rimantadine inhibit proton transport in the M2 protein channel.

Thanyada Rungrotmongkol, Supot Hannongbua, Maturos Malaisree, 2008, Journal of molecular graphics & modelling.

On the lower susceptibility of oseltamivir to influenza neuraminidase subtype N1 than those in N2 and N9.

Supot Hannongbua, Maturos Malaisree, Panita Decha, 2007, Biophysical journal.

Quantum pharmacological studies on antimalarial drugs

Supot Hannongbua, Bernd M. Rode, Sirirat Kokpol, 1989 .

Insight into analysis of interactions of saquinavir with HIV-1 protease in comparison between the wild-type and G48V and G48V/L90M mutants based on QM and QM/MM calculations.

Supot Hannongbua, Pornthep Sompornpisut, Ornjira Aruksakunwong, 2007, Journal of molecular graphics & modelling.

Analysis Of Structure-Activity Relation for Primaquine Antimalarial Drugs by a Quantum Pharmacological Approach

Supot Hannongbua, Bernd M. Rode, Michael G. Schwendinger, 1988 .

Why Are Lopinavir and Ritonavir Effective against the Newly Emerged Coronavirus 2019? Atomistic Insights into the Inhibitory Mechanisms

Thanyada Rungrotmongkol, Supot Hannongbua, Yasuteru Shigeta, 2020, Biochemistry.

Structural analysis of lead fullerene-based inhibitor bound to human immunodeficiency virus type 1 protease in solution from molecular dynamics simulations.

Supot Hannongbua, Pornthep Sompornpisut, Piyarat Nimmanpipug, 2007, Journal of molecular graphics & modelling.

Molecular prediction of oseltamivir efficiency against probable influenza A (H1N1-2009) mutants: molecular modeling approach

Thanyada Rungrotmongkol, Supot Hannongbua, Nadtanet Nunthaboot, 2010, Amino Acids.

Long time scale GPU dynamics reveal the mechanism of drug resistance of the dual mutant I223R/H275Y neuraminidase from H1N1-2009 influenza virus.

Supot Hannongbua, Christopher J. Woods, Adrian J Mulholland, 2012, Biochemistry.

How do carbon nanotubes serve as carriers for gemcitabine transport in a drug delivery system?

Thanyada Rungrotmongkol, Supot Hannongbua, Kitiyaporn Wittayanarakul, 2011, Journal of molecular graphics & modelling.

Simple sequential injection analysis system for rapid determination of microalbuminuria.

Supot Hannongbua, Orawon Chailapakul, Wanida Laiwattanapaisal, 2009, Talanta.

Molecular insight into the specific binding of ADP-ribose to the nsP3 macro domains of chikungunya and Venezuelan equine encephalitis viruses: molecular dynamics simulations and free energy calculations.

Nopporn Kaiyawet, Thanyada Rungrotmongkol, Supot Hannongbua, 2010, Journal of molecular graphics & modelling.

A water-swap reaction coordinate for the calculation of absolute protein-ligand binding free energies.

Supot Hannongbua, Christopher J. Woods, Adrian J Mulholland, 2011, The Journal of chemical physics.

Proton transport through the influenza A M2 channel: three-dimensional reference interaction site model study.

Thanyada Rungrotmongkol, Supot Hannongbua, Norio Yoshida, 2010, Journal of the American Chemical Society.

Quantum pharmacological analysis of structure-activity relationships for mefloquine antimalarial drugs.

Supot Hannongbua, Bernd M. Rode, Sirirat Kokpol, 1989 .

Susceptibility of antiviral drugs against 2009 influenza A (H1N1) virus.

Thanyada Rungrotmongkol, Supot Hannongbua, Nadtanet Nunthaboot, 2009, Biochemical and biophysical research communications.

Understanding of known drug‐target interactions in the catalytic pocket of neuraminidase subtype N1

Thanyada Rungrotmongkol, Supot Hannongbua, Maturos Malaisree, 2008, Proteins.

Molecular and electronic properties of HIV-1 protease inhibitor C60 derivatives as studied by the ONIOM method

Supot Hannongbua, Vudhichai Parasuk, S. Hannongbua, 2005 .

Insights into saquinavir resistance in the G48V HIV-1 protease: quantum calculations and molecular dynamic simulations.

Supot Hannongbua, Wasun Chantratita, Pornthep Sompornpisut, 2005, Biophysical journal.

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

Thanyada Rungrotmongkol, Supot Hannongbua, Nadtanet Nunthaboot, 2009, Biophysical chemistry.

Molecular Dynamics Simulation Reveals the Selective Binding of Human Leukocyte Antigen Alleles Associated with Behçet's Disease

Nopporn Kaiyawet, Thanyada Rungrotmongkol, Supot Hannongbua, 2015, PloS one.