Guidebook for Performing Ligand-Target Docking along with Visualization of the Docking Results
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Small molecule ligands (e.g., hormones, drugs) bind with bio-macromolecule targets (e.g., enzymes, receptors) in specific ways to exert their actions. Molecular docking tries to computationally simulate such bindings, aiming for predictions. <br>This guidebook, in around 30 pages, aims to introduce chemistry students and researchers to detailed know-how about performing ligand-target docking using freeware packages AutoDock 4 and AutoDock Vina (aided by UCSF Chimera and AutoDockTools freewares) and about visualisation of the results using sharewares PyMOL and BIOVIA Discovery Studio Visualizer.
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Guidebook for Performing Ligand-Target Docking along with Visualization of the Docking Results
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