Thanyada Rungrotmongkol

Orcid: 0000-0002-7402-3235

According to our database1, Thanyada Rungrotmongkol authored at least 25 papers between 2009 and 2025.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

2010
2012
2014
2016
2018
2020
2022
2024
0
1
2
3
4
3
3
3
3
1
1
1
1
1
1
1
1
1
1
1
2

Legend:

Book 
In proceedings 
Article 
PhD thesis 
Dataset
Other 

Links

On csauthors.net:

Bibliography

2025
Theoretical investigation of structure and electronic properties in Cisplatin-citrate complexes.
J. Comput. Chem., 2025

Pre-training strategy for antiviral drug screening with low-data graph neural network: A case study in HIV-1 K103N reverse transcriptase.
J. Comput. Chem., 2025

Exploring mimosamycin as a Janus kinase 2 inhibitor: A combined computational and experimental investigation.
Comput. Biol. Chem., 2025

2024
Machine learning-guided design of potent darunavir analogs targeting HIV-1 proteases: A computational approach for antiretroviral drug discovery.
J. Comput. Chem., May, 2024

GraphEGFR: Multi-task and transfer learning based on molecular graph attention mechanism and fingerprints improving inhibitor bioactivity prediction for EGFR family proteins on data scarcity.
J. Comput. Chem., 2024

Evaluating solubility, stability, and inclusion complexation of oxyresveratrol with various β-cyclodextrin derivatives using advanced computational techniques and experimental validation.
Comput. Biol. Chem., 2024

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

Why Amantadine Loses Its Function in Influenza M2 Mutants: MD Simulations.
J. Chem. Inf. Model., 2009


  Loading...