1. A "Thermodynamically Stable" 2D Nickel Metal–Organic Framework over a Wide pH Range with Scalable Preparation for Efficient C2s over C1 Hydrocarbon Separations. Issue 55 (11th September 2020) Authors: Sahoo, Rupam; Chand, Santanu; Mondal, Manas; Pal, Arun; Pal, Shyam Chand; Rana, Malay Kumar; Das, Madhab C. Journal: Chemistry Issue: Volume 26:Issue 55(2020) Page Start: 12624 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Alkylated benzimidazoles: Design, synthesis, docking, DFT analysis, ADMET property, molecular dynamics and activity against HIV and YFV. (December 2020) Authors: Srivastava, Ritika; Gupta, Sunil K.; Naaz, Farha; Sen Gupta, Parth Sarthi; Yadav, Madhu; Singh, Vishal Kumar; Singh, Anuradha; Rana, Malay Kumar; Gupta, Satish Kumar; Schols, Dominique; Singh, Ramendra K. Journal: Computational biology and chemistry Issue: Volume 89(2020) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Anti-HIV potential of diarylpyrimidine derivatives as non-nucleoside reverse transcriptase inhibitors: design, synthesis, docking, TOPKAT analysis and molecular dynamics simulations. Issue 7 (9th April 2021) Authors: Singh, Vishal K.; Srivastava, Ritika; Gupta, Parth Sarthi Sen; Naaz, Farha; Chaurasia, Himani; Mishra, Richa; Rana, Malay Kumar; Singh, Ramendra K. Journal: Journal of biomolecular structure & dynamics Issue: Volume 39:Issue 7(2021) Page Start: 2430 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Binding insight of clinically oriented drug famotidine with the identified potential target of SARS-CoV-2. Issue 14 (22nd September 2021) Authors: Sen Gupta, Parth Sarthi; Biswal, Satyaranjan; Singha, Dipankar; Rana, Malay Kumar Journal: Journal of biomolecular structure & dynamics Issue: Volume 39:Issue 14(2021) Page Start: 5327 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Binding mechanism and structural insights into the identified protein target of COVID-19 and importin-α with in-vitro effective drug ivermectin. Issue 5 (24th March 2022) Authors: Sen Gupta, Parth Sarthi; Biswal, Satyaranjan; Panda, Saroj Kumar; Ray, Abhik Kumar; Rana, Malay Kumar Journal: Journal of biomolecular structure & dynamics Issue: Volume 40:Issue 5(2022) Page Start: 2217 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. In-silico evidences on filarial cystatin as a putative ligand of human TLR4. Issue 19 (15th November 2022) Authors: Das, Nabarun Chandra; Sen Gupta, Parth Sarthi; Biswal, Satyaranjan; Patra, Ritwik; Rana, Malay Kumar; Mukherjee, Suprabhat Journal: Journal of biomolecular structure & dynamics Issue: Volume 40:Issue 19(2022) Page Start: 8808 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Potential targets of severe acute respiratory syndrome coronavirus 2 of clinical drug fluvoxamine: Docking and molecular dynamics studies to elucidate viral action. (7th December 2022) Authors: Panda, Saroj Kumar; Gupta, Parth Sarthi Sen; Rana, Malay Kumar Journal: Cell biochemistry and function Issue: Volume 41:Number 1(2023) Page Start: 98 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Repurposing of FDA-approved drugs as potential inhibitors of the SARS-CoV-2 main protease: Molecular insights into improved therapeutic discovery. (March 2022) Authors: Ray, Abhik Kumar; Sen Gupta, Parth Sarthi; Panda, Saroj Kumar; Biswal, Satyaranjan; Bhattacharya, Uddipan; Rana, Malay Kumar Journal: Computers in biology and medicine Issue: Volume 142(2022) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Screening and molecular characterization of lethal mutations of human homogentisate 1, 2 dioxigenase. Issue 5 (18th September 2020) Authors: Sen Gupta, Parth Sarthi; Islam, Rifat Nawaz UI; Banerjee, Sahini; Nayek, Arnab; Rana, Malay Kumar; Bandyopadhyay, Amal Kumar Journal: Journal of biomolecular structure & dynamics Issue: Volume 39:Issue 5(2021) Page Start: 1661 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Templated growth of polyaniline for enhanced gas sensing response in flexible sensors: experiments and simulations. (20th August 2021) Authors: Sinha, Mousumi; Rana, Malay Kumar; Panda, Siddhartha Journal: Flexible and printed electronics Issue: Volume 6:Number 3(2021) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗