Amit Kumar Singh

Targeting SARS-CoV-2: a systematic drug repurposing approach to identify promising inhibitors against 3C-like proteinase and 2′-O-ribose methyltransferase

Rameez Jabeer Khan, Rajat Kumar Jha, Gizachew Muluneh Amera et al. · Journal of Biomolecular Structure and Dynamics · 2020 · 351 citations · Full text

Life Sciences, Infectious Diseases, Pharmacology +17

Identification of promising antiviral drug candidates against non-structural protein 15 (NSP15) from SARS-CoV-2: an <i>in silico</i> assisted drug-repurposing study

Rameez Jabeer Khan, Rajat Kumar Jha, Ekampreet Singh et al. · Journal of Biomolecular Structure and Dynamics · 2020 · 32 citations

Life Sciences, Infectious Diseases, Molecular Biology +17

Targeting Novel Coronavirus 2019: A Systematic Drug Repurposing Approach to Identify Promising Inhibitors Against 3C-like Proteinase and 2'-O-Ribose Methyltransferase

Rameez Jabeer Khan, Rajat Kumar Jha, Gizachew Muluneh Amera et al. · ChemRxiv · 2020 · 28 citations · Full text

Life Sciences, Infectious Diseases, Pharmacology +17

Identification of promising molecules against MurD ligase from Acinetobacter baumannii: insights from comparative protein modelling, virtual screening, molecular dynamics simulations and MM/PBSA analysis

Rajat Kumar Jha, Rameez Jabeer Khan, Gizachew Muluneh Amera et al. · Journal of Molecular Modeling · 2020 · 27 citations

Pharmacy, Bioinformatics, Medicinal Chemistry +16

A computational essential dynamics approach to investigate structural influences of ligand binding on Papain like protease from SARS-CoV-2

Ekampreet Singh, Rajat Kumar Jha, Rameez Jabeer Khan et al. · Computational Biology and Chemistry · 2022 · 22 citations · Full text

Life Sciences, Biochemistry, Biophysics +14