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Journal of Biomolecular Structure & Dynamics|December 7, 2020
Predicting multi-enzyme inhibition in the arachidonic acid metabolic network by Heritiera fomes extractsRahagir Salekeen, Sadia Noor Mou, Md Emdadul Islam, et al.Journal of Biomolecular Structure & Dynamics|December 8, 2020
High-throughput virtual screening of novel potent inhibitor(s) for Human Vanin-1 enzymeArun Bahadur Gurung, Jigmi Tshering Bhutia, Atanu BhattacharjeeJournal of Biomolecular Structure & Dynamics|December 8, 2020
Computer-based identification of potential compounds from Salviae miltiorrhizae against Neirisaral adhesion A regulatory proteinMd Oliullah Rafi, Khattab Al-Khafaji, Tugba Taskin Tok, et al.Journal of Biomolecular Structure & Dynamics|December 9, 2020
Sensing the interactions between carbohydrate-binding agents and N-linked glycans of SARS-CoV-2 spike glycoprotein using molecular docking and simulation studiesKiran Bharat Lokhande, Girish R Apte, Ashish Shrivastava, et al.Journal of Biomolecular Structure & Dynamics|December 9, 2020
Molecular and functional characterization of buffalo nasal epithelial odorant binding proteins and their structural insights by in silico and biochemical approachesChidhambaram Manikkaraja, Mam Bhavika, Randhir Singh, et al.Journal of Biomolecular Structure & Dynamics|December 9, 2020
Cyclic peptide engineered from phytocystatin inhibitory hairpin loop as an effective modulator of falcipains and potent antimalarialManasi Mishra, Vigyasa Singh, Meenakshi B Tellis, et al.Journal of Biomolecular Structure & Dynamics|December 28, 2020
In-silico prediction of potential inhibitors against phosphatidylinositol 3-kinase catalytic subunit alpha involved in head and neck squamous cell carcinomasGeet Madhukar, Naidu SubbaraoJournal of Biomolecular Structure & Dynamics|December 28, 2020
Novel P,C-orthopalladated complexes containing histidine and phenylalanine amino acids: synthesis, DNA and BSA interactions, in vitro antitumoral activity and molecular docking approachSara Hashemi, Kazem Karami, Zeinab Saberi Dehkordi, et al.Journal of Biomolecular Structure & Dynamics|December 28, 2020
Design and in silico study of the novel coumarin derivatives against SARS-CoV-2 main enzymesMücahit Özdemir, Baybars Köksoy, Deniz Ceyhan, et al.Journal of Biomolecular Structure & Dynamics|December 14, 2020
Atomistic simulation on flavonoids derivatives as potential inhibitors of bacterial gyrase of Staphylococcus aureusBalajee Ramachandran, Venkatesan Srinivasadesikan, Tsz-Min Chou, et al.Pageof 931