1. Elucidating specificity of an allosteric inhibitor WNK476 among With‐No‐Lysine kinase isoforms using molecular dynamic simulations. (5th June 2021) Authors: Amarnath Jonniya, Nisha; Sk, Md Fulbabu; Kar, Parimal Journal: Chemical biology & drug design Issue: Volume 98:Number 3(2021) Page Start: 405 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Exploring the energetic basis of binding of currently used drugs against HIV-1 subtype CRF01_AE protease via molecular dynamics simulations. Issue 16 (2nd November 2021) Authors: Sk, Md Fulbabu; Jonniya, Nisha Amarnath; Kar, Parimal Journal: Journal of biomolecular structure & dynamics Issue: Volume 39:Issue 16(2021) Page Start: 5892 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Plant-derived natural polyphenols as potential antiviral drugs against SARS-CoV-2 via RNA‐dependent RNA polymerase (RdRp) inhibition: an in-silico analysis. Issue 16 (2nd November 2021) Authors: Singh, Satyam; Sk, Md Fulbabu; Sonawane, Avinash; Kar, Parimal; Sadhukhan, Sushabhan Journal: Journal of biomolecular structure & dynamics Issue: Volume 39:Issue 16(2021) Page Start: 6249 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Characterizing an allosteric inhibitor-induced inactive state in with-no-lysine kinase 1 using Gaussian accelerated molecular dynamics simulations. Issue 12 (23rd March 2021) Authors: Jonniya, Nisha Amarnath; Sk, Md Fulbabu; Kar, Parimal Journal: Physical chemistry chemical physics Issue: Volume 23:Issue 12(2021) Page Start: 7343 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Investigating the mechanism of recognition and structural dynamics of nucleoprotein-RNA complex from Peste des petits ruminants virus via Gaussian accelerated molecular dynamics simulations. Issue 5 (24th March 2022) Authors: Roy, Rajarshi; Mishra, Anurag; Poddar, Sayan; Nayak, Debasis; Kar, Parimal Journal: Journal of biomolecular structure & dynamics Issue: Volume 40:Issue 5(2022) Page Start: 2302 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. A comparative study of structural and conformational properties of WNK kinase isoforms bound to an inhibitor: insights from molecular dynamic simulations. Issue 3 (2nd February 2022) Authors: Jonniya, Nisha Amarnath; Sk, Md Fulbabu; Kar, Parimal Journal: Journal of biomolecular structure & dynamics Issue: Volume 40:Issue 3(2022) Page Start: 1400 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Exploring the potency of currently used drugs against HIV-1 protease of subtype D variant by using multiscale simulations. Issue 3 (11th February 2021) Authors: Sk, Md Fulbabu; Roy, Rajarshi; Kar, Parimal Journal: Journal of biomolecular structure & dynamics Issue: Volume 39:Issue 3(2021) Page Start: 988 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Mining of Ebola virus genome for the construction of multi-epitope vaccine to combat its infection. Issue 11 (28th June 2022) Authors: Shankar, Uma; Jain, Neha; Mishra, Subodh Kumar; Sk, Md Fulbabu; Kar, Parimal; Kumar, Amit Journal: Journal of biomolecular structure & dynamics Issue: Volume 40:Issue 11(2022) Page Start: 4815 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Structure-based design and synthesis of a novel long-chain 4′′-alkyl ether derivative of EGCG as potent EGFR inhibitor: in vitro and in silico studies. Issue 28 (16th June 2022) Authors: Singh, Satyam; Sahadevan, Revathy; Roy, Rajarshi; Biswas, Mainak; Ghosh, Priya; Kar, Parimal; Sonawane, Avinash; Sadhukhan, Sushabhan Journal: RSC advances Issue: Volume 12:Issue 28(2022) Page Start: 17821 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Comparison of the conformational dynamics of an N-glycan in implicit and explicit solvents. (December 2022) Authors: Roy, Rajarshi; Poddar, Sayan; Kar, Parimal Journal: Carbohydrate research Issue: Volume 522(2022) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗