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Archives of Pharmacal Research|December 17, 2013
In silico study on indole derivatives as anti HIV-1 agents: a combined docking, molecular dynamics and 3D-QSAR studyAnand Balupuri, Changdev G Gadhe, Pavithra K Balasubramanian, et al.European Journal of Medicinal Chemistry|July 5, 2011
Docking and 3D-QSAR (quantitative structure activity relationship) studies of flavones, the potent inhibitors of p-glycoprotein targeting the nucleotide binding domainGugan Kothandan, Changdev G Gadhe, Thirumurthy Madhavan, et al.Acta Crystallographica. Section E, Crystallographic Communications|October 7, 2024
Crystal structure and Hirshfeld surface analysis of (E)-N-(2-styrylphen-yl)benzene-sulfonamideDharani Albert A M, Achyuta Nagaraj, Kanagasabai Somarathinam, et al.Genomics & Informatics|June 2, 2026
Precision Medicine Gene Network Analyser: part I-cancer driver gene identification through network topology and ensemble machine learningRashmi Siddalingappa, Showket Hussain, Deepa S, et al.Computational Biology and Chemistry|February 18, 2026
Unveiling the RAAS-modulating terpenoid, Boerhadiffusene from Boerhavia diffusa L. and further envisage its potential anti-hypertensive activity through in silico and in vitro approachesKanagasabai Somarathinam, Seshan Gunalan, Anandh Sundaramoorthy, et al.ACS Omega|March 10, 2020
Proposing the Promiscuous Protein Structures in JNK1 and JNK3 for Virtual Screening in Pursuit of Potential LeadsAnanthasri Sailapathi, Gopinath Murugan, Kanagasabai Somarathinam, et al.Plos One|July 13, 2022
Polygenic score for Alzheimer's disease identifies differential atrophy in hippocampal subfield volumesBalaji Kannappan, Tamil Iniyan Gunasekaran, Jan Te Nijenhuis, et al.Journal of Biomolecular Structure & Dynamics|August 11, 2020
Insights of structure-based pharmacophore studies and inhibitor design against Gal3 receptor through molecular dynamics simulationsGunalan Seshan, Somarathinam Kanagasabai, Sailapathi Ananthasri, et al.Journal of Biomolecular Structure & Dynamics|November 23, 2019
Understanding the dual mechanism of bioactive peptides targeting the enzymes involved in Renin Angiotensin System (RAS): An in-silico approachSeshan Gunalan, Kanagasabai Somarathinam, Jayanti Bhattacharya, et al.Applied Biochemistry and Biotechnology|May 2, 2023
Toxicity, Pharmacokinetic Profile, and Compound-Protein Interaction Study of Polygonum minus Huds ExtractSuhailah Wasman Qader, Mehmet Ozdemir, Innocent Benjamin, et al.Pageof 4