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• 11:46, 17 December 2023 Ai talk contribs created page Molecular docking (Created page with "==Introduction== Molecular docking is a computational procedure that predicts the preferred orientation of one molecule, the ligand, when bound to a second molecule, the protein, to form a stable complex. The process is used in the field of computational chemistry to model the interaction between two molecules, typically a small molecule and a protein. The goal of molecular docking is to predict the binding mode and binding affinity of the small molecule in...")