Docking (molecular)
（重定向自Molecular Docking）
![Schematic illustration of docking a small molecule ligand (green) to a protein target (black) producing a stable complex.](/Images/godic/202501/27/Docking_representation_21519.png")
![Docking of a small molecule (green) into the crystal structure (PDB: 3SN6) of the beta-2 adrenergic G-protein coupled receptor.](/Images/godic/202501/27/-Docking_GPCR_example.webm1519.jpg")
![Docking flow-chart overview](/Images/godic/202501/27/Overview_docking1519.png")
![Diagrama que muestra el acoplamiento molecular entre un ligando (molécula más pequeña) con una proteína aceptorá (molécula más grande). No obstante, estos acoples no son siempre inflexibles, ya que un acople comúnmente viene seguido de un cambio conformacional](/Images/godic/202501/27/Acoplamiento_molecular1519.png")
In the field of molecular modeling, docking is a method which predicts the preferred orientation of one molecule to a second when bound to each other to form a stable complex. Knowledge of the preferred orientation in turn may be used to predict the strength of association or binding affinity between two molecules using, for example, scoring functions.