1. Binding mechanism of naringenin with monoamine oxidase – B enzyme: QM/MM and molecular dynamics perspective. Issue 4 (April 2021) Authors: Govindasamy, Hunday; Magudeeswaran, Sivanandam; Kandasamy, Saravanan; Poomani, Kumaradhas Journal: Heliyon Issue: Volume 7:Issue 4(2021) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Binding mechanism of spinosine and venenatine molecules with p300 HAT enzyme: Molecular screening, molecular dynamics and free‐energy analysis. Issue 2 (21st October 2019) Authors: Magudeeswaran, Sivanandam; Poomani, Kumaradhas Journal: Journal of cellular biochemistry Issue: Volume 121:Issue 2(2020) Page Start: 1759 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Evaluation of binding and antagonism/downregulation of brilanestrant molecule in estrogen receptor-α via quantum mechanics/molecular mechanics, molecular dynamics and binding free energy calculations. Issue 1 (2nd January 2020) Authors: Chinnasamy, Kalaiarasi; Saravanan, Manjula; Poomani, Kumaradhas Journal: Journal of biomolecular structure & dynamics Issue: Volume 38:Issue 1(2020) Page Start: 219 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Experimental and theoretical charge density, intermolecular interactions and electrostatic properties of metronidazole. Issue 6 (6th November 2019) Authors: Kalaiarasi, Chinnasamy; George, Christy; Gonnade, Rajesh G.; Hathwar, Venkatesha R.; Poomani, Kumaradhas Journal: Acta crystallographica Issue: Volume 75:Issue 6(2019:Dec.) Page Start: 942 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Identification of novel flavonoid inhibitor of Catechol-O-Methyltransferase enzyme by molecular screening, quantum mechanics/molecular mechanics and molecular dynamics simulations. Issue 18 (11th December 2020) Authors: Govindasamy, Hunday; Magudeeswaran, Sivanandam; Poomani, Kumaradhas Journal: Journal of biomolecular structure & dynamics Issue: Volume 38:Issue 18(2020) Page Start: 5307 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Insights on structure and interactions of 2‐amino‐4‐methoxy‐6‐methylpyrimidinium salts with 4‐aminosalicylate and 5‐chlorosalicylate: a combined experimental and theoretical charge–density analysis. Issue 3 (14th February 2022) Authors: Suresh, Suganya; Kandasamy, Saravanan; Balasubramanian, Hemalatha; Ramakrishnan, Jaganathan; Poomani, Kumaradhas Journal: Acta crystallographica Issue: Volume 78:Issue 3(2022) Page Start: 181 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Investigation of intermolecular interactions and binding mechanism of PU139 and PU141 molecules with p300 HAT enzyme via molecular docking, molecular dynamics simulations and binding free energy analysis. Issue 4 (4th March 2023) Authors: Ramakrishnan, Jaganathan; Magudeeswaran, Sivanandam; Suresh, Suganya; Poomani, Kumaradhas Journal: Journal of biomolecular structure & dynamics Issue: Volume 41:Issue 4(2023) Page Start: 1351 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. P4‐028: NEWLY SYNTHESIZED ASTAXANTHIN‐S‐ALLYL CYSTEINE DIESTER INHIBITS DIFFERENT MOLECULAR FORMS OF ACETYLCHOLINESTERASES IN IN VITRO: MITIGATES COGNITIVE DEFICIT IN STREPTOZOTOCIN‐INDUCED DIABETIC RATS. (1st July 2019) Authors: Sakayanathan, Penislusshiyan; Loganathan, Chitra; Valmiki, Rajesh Ramanna; Kandasamy, Saravanan; Poomani, Kumaradhas; Thayumanavan, Palvannan Journal: Alzheimer's & dementia Issue: Volume 15:Supplement 7S(2019)Part 24 Page Start: P1285 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗