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Molecular Biosystems|December 5, 2014
Insights into the binding modes of CC chemokine receptor 4 (CCR4) inhibitors: a combined approach involving homology modelling, docking, and molecular dynamics simulation studiesChangdev G Gadhe, Mi-hyun KimChemical Biology & Drug Design|March 7, 2013
Theoretical characterization of galanin receptor type 3 (Gal3 ) and its interaction with agonist (GALANIN) and antagonists (SNAP 37889 and SNAP 398299): an in silico analysisGugan Kothandan, Changdev G Gadhe, Seung J ChoAnti-Cancer Agents in Medicinal Chemistry|June 26, 2013
In silico study of desmosdumotin as an anticancer agent: homology modeling, docking and molecular dynamics simulation approachChangdev G Gadhe, Gugan Kothandan, Seung Joo ChoJournal of Biomolecular Structure & Dynamics|November 17, 2012
Computational modeling of human coreceptor CCR5 antagonist as a HIV-1 entry inhibitor: using an integrated homology modeling, docking, and membrane molecular dynamics simulation analysis approachChangdev G Gadhe, Gugan Kothandan, Seung Joo ChoArchives of Pharmacal Research|January 18, 2013
Binding site exploration of CCR5 using in silico methodologies: a 3D-QSAR approachChangdev G Gadhe, Gugan Kothandan, Seung Joo ChoJournal of Biomolecular Structure & Dynamics|January 25, 2015
In silico characterization of binding mode of CCR8 inhibitor: homology modeling, docking and membrane based MD simulation studyChangdev G Gadhe, Anand Balupuri, Seung Joo ChoArchives of Pharmacal Research|May 10, 2015
Finding new scaffolds of JAK3 inhibitors in public database: 3D-QSAR models & shape-based screeningChangdev G Gadhe, Eunhee Lee, Mi-Hyun KimPlos One|April 6, 2012
Structural insights from binding poses of CCR2 and CCR5 with clinically important antagonists: a combined in silico studyGugan Kothandan, Changdev G Gadhe, Seung Joo ChoChemical 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.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.Pageof 3