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Molecular docking is a Molecular modelling technique that is used to predict the interaction between two molecules such as drugs, enzymes or proteins. It predicts the structure of the interacting molecules using computational modelling. The objective is to obtain plausible three-dimensional structures of the molecules under study. The candidates produced by docking are ranked by various methods to identify the most likely naturally occurring structure. This review encompasses the various types of docking models and the mechanism of docking, drug design types and available docking software.

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