Browsing Article by Author "Devi, Bharti"

Now showing items 1-2 of 2

Deep learning tools for advancing drug discovery and development

Nag, Sagorika; Baidya, Anurag T. K.; Mathew, Alen T.; Das, Bhanuranjan; Devi, Bharti; Kumar, Rajnish; Mandal, Abhimanyu (Springer Science and Business Media Deutschland GmbH, 2022-05)

A few decades ago, drug discovery and development were limited to a bunch of medicinal chemists working in a lab with enormous amount of testing, validations, and synthetic procedures, all contributing to considerable ...
Integrated use of ligand and structure-based virtual screening, molecular dynamics, free energy calculation and ADME prediction for the identification of potential PTP1B inhibitors

Devi, Bharti; Vasishta, Sumukh Satyanarayana; Das, Bhanuranjan; Baidya, Anurag T. K.; Rampa, Rahul Salmon; Mahapatra, Manoj Kumar; Kumar, Rajnish (Institute for Ionics, 2023-02-06)

Protein tyrosine phosphatases (PTPs) are the group of enzymes that control both cellular activity and the dephosphorylation of tyrosine (Tyr)-phosphorylated proteins. Dysregulation of PTP1B has contributed to numerous ...

Now showing items 1-2 of 2

Search in IDR