Pose Selection: Review the top-ranked poses based on the docking scores provided by the docking software. These scores typically reflect the predicted binding affinity of the ligand to the receptor. They are mathematical models used to predict the binding affinity of a ligand to a protein. They assess the quality of the ligand poses generated during the docking process by calculating a score that typically reflects the free energy of binding. These functions can be categorized into several types, including force-field-based, empirical, and knowledge-based scoring functions. Each type uses different parameters and methodologies to estimate the interaction energies. During the docking process, multiple poses (conformations) of a ligand are generated .