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Bioorganic & Medicinal Chemistry Letters|January 16, 2014
In silico study of 1-(4-Phenylpiperazin-1-yl)-2-(1H-pyrazol-1-yl) ethanones derivatives as CCR1 antagonist: homology modeling, docking and 3D-QSAR approachPavithra K Balasubramanian, Anand Balupuri, Gugan Kothandan, et al.Chemical Biology & Drug Design|February 8, 2011
Binding site analysis of CCR2 through in silico methodologies: docking, CoMFA, and CoMSIAGugan Kothandan, Changdev G Gadhe, Thirumurthy Madhavan, et al.Journal of Biomolecular Structure & Dynamics|September 1, 2023
In silico and immunoinformatics based multiepitope subunit vaccine design for protection against visceral leishmaniasisDeep Bhowmik, Achyut Bhuyan, Seshan Gunalan, et al.BMC Structural Biology|January 29, 2011
In silico quantitative structure-activity relationship studies on P-gp modulators of tetrahydroisoquinoline-ethyl-phenylamine seriesChangdev G Gadhe, Thirumurthy Madhavan, Gugan Kothandan, et al.Journal of Molecular Recognition : JMR|January 2, 2025
Deciphering Saquinavir-Bovine Serum Albumin Interactions: Spectroscopic and Computational InsightsVijayakumar Rajendran, Saravanan Kandasamy, Seshan Gunalan, et al.Molecular Biosystems|September 27, 2014
The nociceptin receptor (NOPR) and its interaction with clinically important agonist molecules: a membrane molecular dynamics simulation studyGugan Kothandan, Changdev G Gadhe, Anand Balupuri, et al.Environmental Pollution (Barking, Essex : 1987)|March 6, 2019
Application of docking and active site analysis for enzyme linked biodegradation of textile dyesShantkriti Srinivasan, Senthil Kumar Sadasivam, Seshan Gunalan, et al.Journal of Molecular Modeling|February 10, 2026
Intriguing the significance of hydrophobic groove by the inhibitory mechanism of mineralocorticoid receptor bound with spironolactone through mutations using long-range molecular dynamics simulations in conjunction with statistical analysisSeshan Gunalan, Kanagasabai Somarathinam, Sekar Kanagaraj, et al.Journal of Biomolecular Structure & Dynamics|November 17, 2020
In-silico studies on Myo inositol-1-phosphate synthase of Leishmania donovani in search of anti-leishmaniasisMousumi Sinha, Rahul Jagadeesan, Neeraj Kumar, et al.Chemical Biology & Drug Design|July 5, 2011
3D-QSAR studies of JNK1 inhibitors utilizing various alignment methodsThirumurthy Madhavan, Jae Yoon Chung, Gugan Kothandan, et al.Pageof 4