Md R. Parves

Foy's Lake
Chittagong, B 4202, Bangladesh

Last Updated: 09/26/2026

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Found 11 publications

Structural and functional effects of the L84S mutant in the SARS-COV-2 ORF8 dimer based on microsecond molecular dynamics study.

Structural and functional effects of the L84S mutant in the SARS-COV-2 ORF8 dimer based on microsecond molecular dynamics study.

Journal: Journal of biomolecular structure & dynamics

Published: July 05, 2023

Molecular dynamics-based insight of VEGFR-2 kinase domain: a combined study of pharmacophore modeling and molecular docking and dynamics.

Molecular dynamics-based insight of VEGFR-2 kinase domain: a combined study of pharmacophore modeling and molecular docking and dynamics.

Journal: Journal of molecular modeling

Published: June 19, 2022

Designing potent inhibitors against the multidrug resistance P-glycoprotein.

Designing potent inhibitors against the multidrug resistance P-glycoprotein.

Journal: Journal of biomolecular structure & dynamics

Published: June 01, 2021

Repurposing fusion inhibitor peptide against SARS-CoV-2.

Repurposing fusion inhibitor peptide against SARS-CoV-2.

Journal: Journal of computational chemistry

Published: February 20, 2021

Cysteine focused covalent inhibitors against the main protease of SARS-CoV-2.

Cysteine focused covalent inhibitors against the main protease of SARS-CoV-2.

Journal: Journal of biomolecular structure & dynamics

Published: October 13, 2020

Investigating the binding affinity, interaction, and structure-activity-relationship of 76 prescription antiviral drugs targeting RdRp and Mpro of SARS-CoV-2.

Investigating the binding affinity, interaction, and structure-activity-relationship of 76 prescription antiviral drugs targeting RdRp and Mpro of SARS-CoV-2.

Journal: Journal of biomolecular structure & dynamics

Published: July 29, 2020

A molecular modeling approach to identify effective antiviral phytochemicals against the main protease of SARS-CoV-2.

A molecular modeling approach to identify effective antiviral phytochemicals against the main protease of SARS-CoV-2.

Journal: Journal of biomolecular structure & dynamics

Published: April 29, 2020

Exploring the potent inhibitors and binding modes of phospholipase A2 through in silico investigation.

Exploring the potent inhibitors and binding modes of phospholipase A2 through in silico investigation.

Journal: Journal of biomolecular structure & dynamics

Published: October 15, 2019

Prediction of Deleterious Non-synonymous SNPs of Human STK11 Gene by Combining Algorithms, Molecular Docking, and Molecular Dynamics Simulation.

Prediction of Deleterious Non-synonymous SNPs of Human STK11 Gene by Combining Algorithms, Molecular Docking, and Molecular Dynamics Simulation.

Journal: Scientific reports

Published: September 05, 2018

Assessment of structurally and functionally high-risk nsSNPs impacts on human bone morphogenetic protein receptor type IA (BMPR1A) by computational approach.

Assessment of structurally and functionally high-risk nsSNPs impacts on human bone morphogenetic protein receptor type IA (BMPR1A) by computational approach.

Journal: Computational biology and chemistry

Published: April 24, 2018

Quantum chemical calculation and binding modes of H1R; a combined study of molecular docking and DFT for suggesting therapeutically potent H1R antagonist.

Quantum chemical calculation and binding modes of H1R; a combined study of molecular docking and DFT for suggesting therapeutically potent H1R antagonist.

Journal: In silico pharmacology

Published: April 14, 2018

Showing 1-11 of 11

Last Updated: 09/26/2026