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Journal of Biomolecular Structure & Dynamics|December 17, 2024
Computational design and validation of small molecule inhibitors for type III phosphatidylinositol-4-kinase alpha, a hepatitis C drug targetJishu Pagag, Priyanka Andola, Laxman Durgam, et al.Journal of Biomolecular Structure & Dynamics|December 23, 2024
Identification of a potential anti-viral drug targeting allosteric site of papain-like protease against rubella using a molecular modeling approachVrinda Salvi, Purva Khodke, Pruthanka Patil, et al.Journal of Biomolecular Structure & Dynamics|December 14, 2024
Investigating the impact of SOD1 mutations on amyotrophic lateral sclerosis progression and potential drug repurposing through in silico analysisA Khuzaim Alzahrani, Mohd Imran, Ahmed S AlshrariJournal of Biomolecular Structure & Dynamics|December 13, 2024
Exploring the DPP IV inhibitory potential: molecular docking and dynamic simulations of pyridine-3-carboxylic acid and pyrrolidine-2-carboxylic acid analogsHarshada H Puranik, Asha B Thomas, Kiran Bharat Lokhande, et al.Journal of Biomolecular Structure & Dynamics|December 12, 2024
Elucidating the mechanisms of a herbal compound fumarine and its modulation on the estrogen receptor 1Sanghyun Lee, Ann Rann Wong, Hanife Mehmet, et al.Journal of Biomolecular Structure & Dynamics|December 11, 2024
Structure-based virtual screening of FDA-approved drugs to discover potential inhibitors of phosphoinositide kinase, PIKfyveBhagyashri N Wadje, Tejaswi Somarowthu, Shikha Thakur, et al.Journal of Biomolecular Structure & Dynamics|December 11, 2024
Green synthesis of ZnO nanoparticles: in-silico and in-vitro assessment of anticancer and antibacterial activity and biomolecule (DNA) binding analysisNahid Shahabadi, Saba Zendehcheshm, Mohammad Mahdavi, et al.Journal of Biomolecular Structure & Dynamics|December 11, 2024
Phytocompounds hesperidin, rebaudioside a and rutin as drug leads for the treatment of tuberculosis targeting mycobacterial phosphoribosyl pyrophosphate synthetaseSneha Manthattil Vysyan, Meera Suraj Prasanna, Abhithaj Jayanandan, et al.Journal of Biomolecular Structure & Dynamics|December 11, 2024
An evaluation of the precision of computational methods used in drug development initiativesManal A Nael, Mohammed M Ghoneim, Mansour Almuqbil, et al.Journal of Biomolecular Structure & Dynamics|December 11, 2024
Flavin mononucleotide, a potent inhibitor of insulin-degrading enzyme: an in-silico studyNitish Kumar, Komalpreet Kaur, Anupmjot Kaur Jassal, et al.Pageof 931