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Computational Biology and Chemistry|June 21, 2021
In silico virtual screening of potent inhibitor to hamper the interaction between HIV-1 integrase and LEDGF/p75 interaction using E-pharmacophore modeling, molecular docking, and dynamics simulationsUmesh Panwar, Sanjeev Kumar SinghACS Omega|July 8, 2021
Interpretations on the Interaction between Protein Tyrosine Phosphatase and E7 Oncoproteins of High and Low-Risk HPV: A Computational PerceptionMurali Aarthy, Sanjeev Kumar SinghBioorganic & Medicinal Chemistry|March 28, 2003
Pharmacophoric features of nucleosidic HIV-1RT inhibitorsArpita Yadav, Sanjeev Kumar SinghBioorganic & Medicinal Chemistry Letters|April 28, 2004
Threshold interaction energy of NRTI's (2'-deoxy 3'-substituted nucleosidic analogs of reverse transcriptase inhibitors) to undergo competitive inhibitionArpita Yadav, Sanjeev Kumar SinghMedicinal Chemistry (Shariqah (United Arab Emirates))|August 5, 2008
3D-QSAR CoMFA and CoMSIA study on benzodipyrazoles as cyclin dependent kinase 2 inhibitorsNigus Dessalew, Sanjeev Kumar SinghJournal of Biomolecular Structure & Dynamics|July 23, 2013
Validation of potential inhibitors for SrtA against Bacillus anthracis by combined approach of ligand-based and molecular dynamics simulationChandrabose Selvaraj, Sanjeev Kumar SinghComputational Biology and Chemistry|January 10, 2019
E-pharmacophore-based screening of mGluR5 negative allosteric modulators for central nervous system disorderSitrarasu Vijaya Prabhu, Sanjeev Kumar SinghJournal of Biomolecular Structure & Dynamics|August 9, 2019
Energetically optimized pharmacophore modeling to identify dual negative allosteric modulators against group I mGluRs in neurodegenerative diseasesSitrarasu Vijaya Prabhu, Sanjeev Kumar SinghMolecular Biosystems|June 10, 2014
Insights into the structural basis of 3,5-diaminoindazoles as CDK2 inhibitors: prediction of binding modes and potency by QM-MM interaction, MESP and MD simulationSunil Kumar Tripathi, Sanjeev Kumar SinghJournal of Biomolecular Structure & Dynamics|August 16, 2022
Atom-based 3D-QSAR and DFT analysis of 5-substituted 2-acylaminothiazole derivatives as HIV-1 latency-reversing agentsMohammad Aqueel Khan, Sanjeev Kumar SinghPageof 20