Amita Pathak

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 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

Symmetrization of the backbone of nucleic acids: a molecular dynamics study

Pradeep Pant, Amita Pathak, B. Jayaram · Journal of Biomolecular Structure and Dynamics · 2019 · 21 citations

Life Sciences, Biochemistry, Bioinformatics +13

Symmetric Nucleosides as Potent Purine Nucleoside Phosphorylase Inhibitors

Pradeep Pant, Amita Pathak, B. Jayaram · The Journal of Physical Chemistry B · 2021 · 20 citations

Pharmacy, Biochemistry, Medicinal Chemistry +16

Screening of promising molecules against MurG as drug target in multi-drug-resistant-<i>Acinetobacter baumannii</i> - insights from comparative protein modeling, molecular docking and molecular dynamics simulation

Gizachew Muluneh Amera, Rameez Jabeer Khan, Amita Pathak et al. · Journal of Biomolecular Structure and Dynamics · 2019 · 19 citations

Pharmacy, Medicinal Chemistry, Pharmacology +17