Bhanuranjan Das

Mechanistic Insight into the Inhibition of Choline Acetyltransferase by Proton Pump Inhibitors

Anurag T. K. Baidya, Bhanuranjan Das, Bharti Devi et al. · ACS Chemical Neuroscience · 2023 · 21 citations

Structure-based virtual screening and molecular dynamics simulation for the identification of sphingosine kinase-2 inhibitors as potential analgesics

Akhilesh Akhilesh, Anurag T. K. Baidya, Ankit Uniyal et al. · Journal of Biomolecular Structure and Dynamics · 2021 · 20 citations

<scp> <i>N</i> </scp> ‐glycosylation induced changes in tau protein dynamics reveal its role in tau misfolding and aggregation: A microsecond long molecular dynamics study

Alen T. Mathew, Anurag T. K. Baidya, Bhanuranjan Das et al. · Proteins Structure Function and Bioinformatics · 2022 · 17 citations

Integrated use of ligand and structure-based virtual screening, molecular dynamics, free energy calculation and ADME prediction for the identification of potential PTP1B inhibitors

Bharti Devi, Sumukh Satyanarayana Vasishta, Bhanuranjan Das et al. · Molecular Diversity · 2023 · 15 citations

Drug Target, Hit Identification, Biochemistry +11

Artificial intelligence assisted identification of potential tau aggregation inhibitors: ligand- and structure-based virtual screening, in silico ADME, and molecular dynamics study

Bhanuranjan Das, Alen T. Mathew, Anurag T. K. Baidya et al. · Molecular Diversity · 2023 · 15 citations

Artificial Intelligence, Virtual Screening, Systems Biology +11