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Journal of Biomolecular Structure & Dynamics|November 23, 2020
In silico inhibition of SGTP4 as a therapeutic target for the treatment of schistosomiasisTayo A Adekiya, Raphael Taiwo Aruleba, Ashwil Klein, et al.Journal of Biomolecular Structure & Dynamics|November 24, 2020
Molecular dynamics simulation perception study of the binding affinity performance for main protease of SARS-CoV-2Satya Narayan Sahu, Biswajit Mishra, Rojalin Sahu, et al.Journal of Biomolecular Structure & Dynamics|February 14, 2018
Virtual screening of natural inhibitors targeting ornithine decarboxylase with pharmacophore scaffolding of DFMO and validation by molecular dynamics simulation studiesMuthukumaran Sivashanmugam, Sulochana K N, Umashankar VJournal of Biomolecular Structure & Dynamics|February 17, 2018
Investigation of the selectivity of one type of small-molecule inhibitor for three Nav channel isoforms based on the method of computer simulationFan Zhao, Wei Jin, Lin Ma, et al.Journal of Biomolecular Structure & Dynamics|February 13, 2018
Understanding the resistance mechanism of penicillin binding protein 1a mutant against cefotaxime using molecular dynamic simulationEsmaeil Behmard, Ali Najafi, Ali AhmadiJournal of Biomolecular Structure & Dynamics|March 29, 2020
Computational modeling for mutational analysis of nitrilase enzyme towards enhancement of binding empathyPriya Kumari, Raju PoddarJournal of Biomolecular Structure & Dynamics|March 29, 2020
Synthesis, antimicrobial activity, molecular docking and ADMET study of a caprolactam-glycine clusterSefa Celik, Ali Tugrul Albayrak, Sevim Akyuz, et al.Journal of Biomolecular Structure & Dynamics|March 29, 2020
Anti-HIV potential of diarylpyrimidine derivatives as non-nucleoside reverse transcriptase inhibitors: design, synthesis, docking, TOPKAT analysis and molecular dynamics simulationsVishal K Singh, Ritika Srivastava, Parth Sarthi Sen Gupta, et al.Journal of Biomolecular Structure & Dynamics|March 20, 2020
In silico design of peptide inhibitors of tubulin: amyloid-β as a lead compoundNima Razzaghi-Asl, Ahmad EbadiJournal of Biomolecular Structure & Dynamics|September 24, 2014
Tryptophan to Glycine mutation in the position 116 leads to protein aggregation and decreases the stability of the LITAF proteinChundi Vinay Kumar, Rayapadi G Swetha, Sudha Ramaiah, et al.Pageof 931