M. Malaisree

发表

Molecular insights into human receptor binding to 2009 H1N1 influenza A hemagglutinin

T. Rungrotmongkol, S. Hannongbua, Y. Poovorawan, 2010 .

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

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

Computational Assay of H7N9 Influenza Neuraminidase Reveals R292K Mutation Reduces Drug Binding Affinity

Christopher J. Woods, Simon McIntosh-Smith, Adrian J. Mulholland, 2013, Scientific Reports.

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.

Rapid decomposition and visualisation of protein-ligand binding free energies by residue and by water.

Christopher J. Woods, J. Michel, A. Mulholland, 2014, Faraday discussions.

Source of high pathogenicity of an avian influenza virus H5N1: why H5 is better cleaved by furin.

T. Rungrotmongkol, S. Hannongbua, M. Malaisree, 2008, Biophysical journal.

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

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

Identification of the quinolinedione inhibitor binding site in Cdc25 phosphatase B through docking and molecular dynamics simulations

Adrian J. Mulholland, Maturos Malaisree, Yushu Ge, 2017, Journal of Computer-Aided Molecular Design.

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

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

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..

Source of high pathogenicity of an avian influenza virus H5N1: why H5 is better cleaved by furin.

T. Rungrotmongkol, S. Hannongbua, M. Malaisree, 2008, Biophysical journal.

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.

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.

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

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

Molecular dynamic simulations analysis of ritronavir and lopinavir as SARS-CoV 3CLpro inhibitors

V. Lee, S. Hannongbua, M. Malaisree, 2008, Journal of Theoretical Biology.

Combined QM/MM mechanistic study of the acylation process in furin complexed with the H5N1 avian influenza virus hemagglutinin's cleavage site

T. Rungrotmongkol, S. Hannongbua, Nadtanet Nunthaboot, 2009, Proteins.

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

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

Analysis and assay of oseltamivir-resistant mutants of influenza neuraminidase via direct observation of drug unbinding and rebinding in simulation.

Christopher J. Woods, Adrian J Mulholland, Simon McIntosh-Smith, 2013, Biochemistry.

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.

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

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

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.

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

T. Rungrotmongkol, S. Hannongbua, M. Malaisree, 2009, J. Chem. Inf. Model..