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Journal of Biomolecular Structure & Dynamics|October 14, 2020
Targeting Imd pathway receptor in Drosophila melanogaster and repurposing of phyto-inhibitors: structural modulation and molecular dynamicsPankaj Satapathy, Jeevan Kallur Prakash, V Chirag Gowda, et al.Journal of Biomolecular Structure & Dynamics|October 14, 2020
Investigating the pernicious effects of heparan sulfate in serum amyloid A1 protein aggregation: a structural bioinformatics approachG Chandrasekhar, R RajasekaranJournal of Biomolecular Structure & Dynamics|October 19, 2020
Exploring the concerted mechanistic pathway for HIV-1 PR-substrate revealed by umbrella sampling simulationZainab K Sanusi, Monsurat M Lawal, Pancham Lal Gupta, et al.Journal of Biomolecular Structure & Dynamics|October 19, 2020
Development of potential proteasome inhibitors against Mycobacterium tuberculosisRashmi Tyagi, Mitul Srivastava, Preeti Jain, et al.Journal of Biomolecular Structure & Dynamics|October 16, 2020
From COVID-19 to clot: the involvement of the complement systemMohamed A Hendaus, Fatima A JomhaJournal of Biomolecular Structure & Dynamics|October 26, 2020
Molecular docking and molecular dynamics to identify collagenase inhibitors as lead compounds to address osteoarthritisHimadri Shekhar Roy, Gurudutt Dubey, Vishnu Kumar Sharma, et al.Journal of Biomolecular Structure & Dynamics|August 28, 2020
Insights into the structural and dynamical changes of spike glycoprotein mutations associated with SARS-CoV-2 host receptor bindingShahzaib Ahamad, Hema Kanipakam, Dinesh GuptaJournal of Biomolecular Structure & Dynamics|October 6, 2020
Computational studies of the properties and activities of selected trisubstituted benzimidazoles as potential antitubercular drugs inhibiting MTB-FtsZ polymerizationOlayinka I Akinpelu, Monsurat M Lawal, Hezekiel M Kumalo, et al.Journal of Biomolecular Structure & Dynamics|October 9, 2020
Mutational landscape of K-Ras substitutions at 12th position-a systematic molecular dynamics approachUdhaya Kumar S, Bithia R, Thirumal Kumar D, et al.Journal of Biomolecular Structure & Dynamics|October 9, 2020
Unassisted N-acetyl-phenylalanine-amide transport across membrane with varying lipid size and composition: kinetic measurements and atomistic molecular dynamics simulationBrent L Lee, Krzysztof Kuczera, Kyung-Hoon Lee, et al.Pageof 931