Padmaja D. Wakchaure

Revealing the Inhibition Mechanism of RNA-Dependent RNA Polymerase (RdRp) of SARS-CoV-2 by Remdesivir and Nucleotide Analogues: A Molecular Dynamics Simulation Study

Padmaja D. Wakchaure, Shibaji Ghosh, Bishwajit Ganguly · The Journal of Physical Chemistry B · 2020 · 51 citations

Life Sciences, Molecular Biology, Pharmacology +17

A Highly Selective Turn-On Biosensor for Measuring Spermine/Spermidine in Human Urine and Blood

Ratish R. Nair, Snehasish Debnath, Shruti Das et al. · ACS Applied Bio Materials · 2019 · 42 citations

Engineering, Bioengineering, Biomedical Engineering +15

Revealing the cholinergic inhibition mechanism of Alzheimer’s by galantamine: a metadynamics simulation study

Shibaji Ghosh, Kalyanashis Jana, Padmaja D. Wakchaure et al. · Journal of Biomolecular Structure and Dynamics · 2020 · 17 citations · Full text

Life Sciences, Biochemistry, Pharmacology +17

Structure investigation, enrichment analysis and structure-based repurposing of FDA-approved drugs as inhibitors of BET-BRD4

Padmaja D. Wakchaure, V. Ravichandiran, Kuldeep K. Roy · Journal of Biomolecular Structure and Dynamics · 2018 · 16 citations

Pharmacy, Medicinal Chemistry, Pharmacology +17

Unraveling the Role of π-Stacking Interactions in Ligand Binding to the Thiamine Pyrophosphate Riboswitch with High-level Quantum Chemical Calculations and Docking Study

Padmaja D. Wakchaure, Bishwajit Ganguly · The Journal of Physical Chemistry B · 2022 · 11 citations

Pharmacy, Biochemistry, Chemistry +16