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Journal of Biomolecular Structure & Dynamics|November 13, 2020
Structure-activity relationship, molecular docking, and molecular dynamic studies of diterpenes from marine natural products with anti-HIV activityN L vonRanke, M M J Ribeiro, L A Miceli, et al.Journal of Biomolecular Structure & Dynamics|November 13, 2020
Molecular modeling approach to identify inhibitors of Rv2004c (rough morphology and virulent strain gene), a DosR (dormancy survival regulator) regulon protein from Mycobacterium tuberculosisV G Shanmuga Priya, Vishwambhar Bhandare, Uday M Muddapur, et al.Journal of Biomolecular Structure & Dynamics|November 13, 2020
Synthesis, anticancer evaluation and molecular docking studies of methotrexate's novel Schiff base derivatives against malignant glioma cell linesAifa Nemat, Ishaq N Khan, Saima Kalsoom, et al.Journal of Biomolecular Structure & Dynamics|November 13, 2020
Thiohydantoins as anti-leishmanial agents: n vitro biological evaluation and multi-target investigation by molecular docking studiesPriscila Goes Camargo, Bruna Taciane da Silva Bortoleti, Marcieli Fabris, et al.Journal of Biomolecular Structure & Dynamics|November 30, 2020
Evaluation of traditional ayurvedic Kadha for prevention and management of the novel Coronavirus (SARS-CoV-2) using in silico approachDharmendra Kumar Maurya, Deepak SharmaJournal of Biomolecular Structure & Dynamics|November 30, 2020
Repurposing of FDA approved drugs against Salmonella enteric serovar Typhi by targeting dihydrofolate reductase: an in silico studyTushar Joshi, Priyanka Sharma, Tanuja Joshi, et al.Journal of Biomolecular Structure & Dynamics|November 30, 2020
Synthetic flavonoids as potential antiviral agents against SARS-CoV-2 main proteaseFarwa Batool, Ehsan Ullah Mughal, Komal Zia, et al.Journal of Biomolecular Structure & Dynamics|November 30, 2020
In silico modeling studies of N-substituted harmine derivatives as potential anticancer agents: combination of ligand-based and structure-based approachesTaoufik Akabli, Hamid Toufik, Fatima LamchouriJournal of Biomolecular Structure & Dynamics|December 7, 2020
Interaction of indole-3-acetic acid with horseradish peroxidase as a potential anticancer agent: from docking to molecular dynamics simulationMahboubeh Zarei, Mohammad Reza Rahbar, Manica NegahdaripourJournal of Biomolecular Structure & Dynamics|November 23, 2020
Potential of pyrroquinazoline alkaloids from Adhatoda vasica Nees. as inhibitors of 5-LOX - a computational and an in-vitro studyPrasanth Ghanta, Shweta Sinha, Mukesh Doble, et al.Pageof 931