Umesh Panwar

Structure-based virtual screening and molecular dynamics simulation of SARS-CoV-2 Guanine-N7 methyltransferase (nsp14) for identifying antiviral inhibitors against COVID-19

Chandrabose Selvaraj, Dhurvas Chandrasekaran Dinesh, Umesh Panwar et al. · Journal of Biomolecular Structure and Dynamics · 2020 · 103 citations · Full text

Atom-based 3D-QSAR, molecular docking, DFT, and simulation studies of acylhydrazone, hydrazine, and diazene derivatives as IN-LEDGF/p75 inhibitors

Umesh Panwar, Sanjeev Kumar Singh · Structural Chemistry · 2020 · 62 citations

Molecular Docking, Medicinal Chemistry, Drug Target +11

Microsecond MD Simulation and Multiple-Conformation Virtual Screening to Identify Potential Anti-COVID-19 Inhibitors Against SARS-CoV-2 Main Protease

Chandrabose Selvaraj, Umesh Panwar, Dhurvas Chandrasekaran Dinesh et al. · Frontiers in Chemistry · 2021 · 58 citations · Full text

Structure-based virtual screening toward the discovery of novel inhibitors for impeding the protein-protein interaction between HIV-1 integrase and human lens epithelium-derived growth factor (LEDGF/p75)

Umesh Panwar, Sanjeev Kumar Singh · Journal of Biomolecular Structure and Dynamics · 2017 · 48 citations

Hiv-1 Integrase, Immunology, Molecular Biology +18

Shape-based Machine Learning Models for the Potential Novel COVID-19 Protease Inhibitors Assisted by Molecular Dynamics Simulation

Anuraj Nayarisseri, Ravina Khandelwal, Maddala Madhavi et al. · Current Topics in Medicinal Chemistry · 2020 · 46 citations