In this paper, a sequential demonstration of molecular docking of the ligand fisetin with the target protein Akt has been provided, using AutoDock Vina in UCSF Chimera 1.12.
No gui chimera software#
AutoDock Vina (in UCSF Chimera) is one of the computationally fastest and most accurate software employed in docking. To date, many software and tools for docking have been employed. In modern drug designing, molecular docking is an approach that explores the confirmation of a ligand within the binding site of a macromolecule.
Experimental strategies are integrated with computational approaches for the identification, characterization, and development of novel drugs and compounds. National University of Sciences and TechnologyĮmail: the field of drug discovery, many methods of molecular modeling have been employed to study complex biological and chemical systems. Research Centre for Modelling and Simulation JMIR Bioinformatics and Biotechnology 23 articles.JMIR Biomedical Engineering 61 articles.JMIR Perioperative Medicine 69 articles.Journal of Participatory Medicine 71 articles.
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