Thanyada Rungrotmongkol
Orcid: 0000-0002-7402-3235
According to our database1,
Thanyada Rungrotmongkol
authored at least 19 papers
between 2009 and 2023.
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Bibliography
2023
Enhancement by pyrazolones of colistin efficacy against mcr-1-expressing E. coli: an in silico and in vitro investigation.
J. Comput. Aided Mol. Des., October, 2023
Identification of Promising Sulfonamide Chalcones as Inhibitors of SARS-CoV-2 3CL<sup>pro</sup> through Structure-Based Virtual Screening and Experimental Approaches.
J. Chem. Inf. Model., August, 2023
Structure-based virtual screening for potent inhibitors of GH-20 <i>β</i>-N-acetylglucosaminidase: Classical and machine learning scoring functions, and molecular dynamics simulations.
Comput. Biol. Chem., June, 2023
2022
Halogenated Baicalein as a Promising Antiviral Agent toward SARS-CoV-2 Main Protease.
J. Chem. Inf. Model., 2022
Structural dynamics and kinase inhibitory activity of three generations of tyrosine kinase inhibitors against wild-type, L858R/T790M, and L858R/T790M/C797S forms of EGFR.
Comput. Biol. Medicine, 2022
Insights into binding molecular mechanism of hemagglutinin H3N2 of influenza virus complexed with arbidol and its derivative: A molecular dynamics simulation perspective.
Comput. Biol. Chem., 2022
2021
In silico and in vitro anti-AChE activity investigations of constituents from Mytragyna speciosa for Alzheimer's disease treatment.
J. Comput. Aided Mol. Des., 2021
2020
Source of oseltamivir resistance due to single E119D and double E119D/H274Y mutations in pdm09H1N1 influenza neuraminidase.
J. Comput. Aided Mol. Des., 2020
2019
Understanding of the drug resistance mechanism of hepatitis C virus NS3/4A to paritaprevir due to D168N/Y mutations: A molecular dynamics simulation perspective.
Comput. Biol. Chem., 2019
2018
Theoretical and Experimental Studies on Inclusion Complexes of Pinostrobin and β-Cyclodextrins.
Sensors, 2018
2017
Comparison of Implicit and Explicit Solvation Models for <i>Iota</i>-Cyclodextrin Conformation Analysis from Replica Exchange Molecular Dynamics.
J. Chem. Inf. Model., 2017
2016
Role of R292K mutation in influenza H7N9 neuraminidase toward oseltamivir susceptibility: MD and MM/PB(GB)SA study.
J. Comput. Aided Mol. Des., 2016
2015
Molecular Dynamics Simulations of the Interaction of Beta Cyclodextrin with a Lipid Bilayer.
J. Chem. Inf. Model., 2015
2014
Key Binding and Susceptibility of NS3/4A Serine Protease Inhibitors against Hepatitis C Virus.
J. Chem. Inf. Model., 2014
2013
Effect of Halogen Substitutions on dUMP to Stability of Thymidylate Synthase/dUMP/mTHF Ternary Complex Using Molecular Dynamics Simulation.
J. Chem. Inf. Model., 2013
2012
Molecular Dynamic Behavior and Binding Affinity of Flavonoid Analogues to the Cyclin Dependent Kinase 6/cyclin D Complex.
J. Chem. Inf. Model., 2012
2010
Evolution of Human Receptor Binding Affinity of H1N1 Hemagglutinins from 1918 to 2009 Pandemic Influenza A Virus.
J. Chem. Inf. Model., 2010
2009
Dynamic Behavior of Avian Influenza A Virus Neuraminidase Subtype H5N1 in Complex with Oseltamivir, Zanamivir, Peramivir, and Their Phosphonate Analogues.
J. Chem. Inf. Model., 2009
J. Chem. Inf. Model., 2009