Scoring functions for docking (source code)

= Scoring functions for docking
{wiki=Scoring_functions_for_docking}

Scoring functions are mathematical models used in molecular docking to evaluate the quality of the predicted interactions between a drug (or ligand) and its target protein (or receptor). The main goal of docking is to predict the best pose (orientation and conformation) of a ligand when it binds to a protein, optimizing the interaction energy and thus indicating potential biological activity.