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Journal of Biomolecular Structure & Dynamics|July 25, 2023
Construction of a HIV-1 subtype C 3D model using homology modeling and in-silico docking, molecular dynamics simulation, and MM-GBSA calculation of second-generation HIV-1 maturation inhibitor(s)Yuvraj K C, Sapna Pal, T J Nitz, et al.Journal of Biomolecular Structure & Dynamics|July 25, 2023
Design, synthesis, evaluation of biological activities and molecular docking and dynamic studies of novel acetazolamide analog compoundsDerya Osmaniye, Onur Yuva, Begüm Nurpelin Sağlık, et al.Journal of Biomolecular Structure & Dynamics|July 26, 2023
Thermodynamics of modulation of interaction of α-helix inducer 2, 2, 2-trifluoroethanol with lysozyme in presence of cationic, anionic and non-ionic surfactantsAnju Arya, Anu Jain, Nand KishoreJournal of Biomolecular Structure & Dynamics|July 25, 2023
Development of a multi-epitope vaccine candidate against Pseudomonas aeruginosa causing urinary tract infection and evaluation of its immunoreactivity in a rabbit modelHamidreza Kalantari, Mehri Habibi, Atosa Ferdousi, et al.Journal of Biomolecular Structure & Dynamics|July 24, 2023
Investigation of bio-active Amaryllidaceae alkaloidal small molecules as putative SARS-CoV-2 main protease and host TMPRSS2 inhibitors: interpretation by in-silico simulation studyShovonlal Bhowmick, Tapan Kumar Mistri, Mohammad Rizwan Khan, et al.Journal of Biomolecular Structure & Dynamics|August 8, 2023
Structural analysis of the AICD central 12 residue peptide stretch and its interactions with metals and polyphenols, as a potential drug target for ADDillip K Senapati, D Jagadeesh Kumar, Priya Narayan, et al.Journal of Biomolecular Structure & Dynamics|August 7, 2023
In silico study on antidiabetic and antioxidant activity of bioactive compounds in Ficus carica LAnirudh Pratap Singh Raman, Siwat Pongpaiboon, Rohit Bhatia, et al.Journal of Biomolecular Structure & Dynamics|July 28, 2023
Development of novel 1,2,4-triazole containing compounds with anticancer and potent anti-CB1 activitySümbül Yıldırım, Aslıhan Ayvaz, Arif Mermer, et al.Journal of Biomolecular Structure & Dynamics|July 24, 2023
Multi-combined QSAR, molecular docking, molecular dynamics simulation, and ADMET of Flavonoid derivatives as potent cholinesterase inhibitorsHatim Soufi, Mohamed Moussaoui, Soukayna Baammi, et al.Journal of Biomolecular Structure & Dynamics|August 8, 2023
Evaluation of Cordyceps militaris steroids as anti-inflammatory agents to combat the Covid-19 cytokine storm: a bioinformatics and structure-based drug designing approachManmeet Singh, Himanshu Verma, Narendra Gera, et al.Pageof 932