Umesh Panwar
Karaikkudi, TN, India
Last Updated: 09/26/2026
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Found 19 publications
Potential Inhibitors of SARS-CoV-2 Developed through Machine Learning, Molecular Docking, and MD Simulation.
Journal: Medicinal chemistry (Shariqah (United Arab Emirates))
Published: December 26, 2024
Exploring the Role of Chemoinformatics in Accelerating Drug Discovery: A Computational Approach.
Journal: Methods in molecular biology (Clifton, N.J.)
Published: September 07, 2023
Virtual Screening Process: A Guide in Modern Drug Designing.
Journal: Methods in molecular biology (Clifton, N.J.)
Published: September 07, 2023
Unveiling the ESR1 Conformational Stability and Screening Potent Inhibitors for Breast Cancer Treatment.
Journal: Medicinal chemistry (Shariqah (United Arab Emirates))
Published: May 08, 2023
Structure-Based Virtual Screening, Molecular Docking, Molecular Dynamics Simulation of EGFR for the Clinical Treatment of Glioblastoma.
Journal: Applied biochemistry and biotechnology
Published: March 15, 2023
Exploring the macromolecules for secretory pathway in cancer disease.
Journal: Advances in protein chemistry and structural biology
Published: January 27, 2023
In silico virtual screening of potent inhibitor to hamper the interaction between HIV-1 integrase and LEDGF/p75 interaction using E-pharmacophore modeling, molecular docking, and dynamics simulations.
Journal: Computational biology and chemistry
Published: May 03, 2021
High-Throughput Screening and Quantum Mechanics for Identifying Potent Inhibitors Against Mac1 Domain of SARS-CoV-2 Nsp3.
Journal: IEEE/ACM transactions on computational biology and bioinformatics
Published: December 11, 2020
Microsecond MD Simulation and Multiple-Conformation Virtual Screening to Identify Potential Anti-COVID-19 Inhibitors Against SARS-CoV-2 Main Protease.
Journal: Frontiers in chemistry
Published: August 15, 2020
Structure-based virtual screening and molecular dynamics simulation of SARS-CoV-2 Guanine-N7 methyltransferase (nsp14) for identifying antiviral inhibitors against COVID-19.
Journal: Journal of biomolecular structure & dynamics
Published: June 23, 2020
Shape-based Machine Learning Models for the Potential Novel COVID-19 Protease Inhibitors Assisted by Molecular Dynamics Simulation.
Journal: Current topics in medicinal chemistry
Published: February 25, 2020
Last Updated: 09/26/2026