Molecular docking is a widely used tool for modeling protein-ligand (i.e. small molecules) interactions. In this workshop, you will have hands-on experience of using AutoDock Vina, a freely distributed molecular docking suit developed by Arthur J. Olson at The Scripps Research Institute, to carry out simple docking of small molecule to its target protein. We know that small molecules are key to many biological processes hence understanding their interactions to their target protein provide useful information about the biological process. In addition, this may allow us to change the interaction by carrying out mutations in the protein or designing a ligand that will either inhibit or accelerate the biological process. Therefore, molecular docking is a great tool that will help you perform computer-aided drug design and it will take you to the field of drug discovery.
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