1. Binding affinity analysis of quinolone and dione inhibitors with Mtb-DNA gyrase emphasising the crystal water molecular transfer energy to the protein–ligand association. Issue 7 (3rd May 2022) Authors: Kumar, G. Siva; Sobhia, M. Elizabeth; Ghosh, Ketan Journal: Molecular simulation Issue: Volume 48:Issue 7(2022) Page Start: 631 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Discovery and evaluation of biphenyl derivatives of 2‐iminobenzimidazoles as prototype dual PTP1B inhibitors and AMPK activators with in vivo antidiabetic activity. (29th January 2023) Authors: Babkov, Denis A.; Zhukovskaya, Olga N.; Brigadirova, Anastasia A.; Prilepskaya, Diana R.; Kolodina, Alexandra A.; Abbas, Abbas Haider S.; Morkovnik, Anatolii S.; Sobhia, M. Elizabeth; Ghosh, Ketan; Spasov, Alexander A. Journal: Chemical biology & drug design Issue: Volume 101:Number 4(2023) Page Start: 896 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Identification of potential SARS-CoV-2 Mpro inhibitors integrating molecular docking and water thermodynamics. Issue 11 (28th June 2022) Authors: Sobhia, M. Elizabeth; Ghosh, Ketan; Sivangula, Srikanth; Kumar, Siva; Singh, Harmanpreet Journal: Journal of biomolecular structure & dynamics Issue: Volume 40:Issue 11(2022) Page Start: 5079 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗