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JMIR Bioinformatics and Biotechnology
In the field of drug discovery, many methods of molecular modeling have been employed to study complex biological and chemical systems. Experimental strategies are integrated with computational approaches for the identification, characterization, and development of novel drugs and compounds. In modern drug designing, molecular docking is an approach that explores the confirmation of a ligand within the binding site of a macromolecule. To date, many software and tools for docking have beendoi:10.2196/14232 fatcat:pcdnvelqlfao7iokl2bgoyyuve