parallel docking
Parallel docking is a computational technique used in drug discovery to predict how small molecules, like potential drugs, bind to a target protein. This method involves evaluating multiple conformations of the ligand simultaneously, allowing researchers to identify the most favorable interactions between the ligand and the target, which is often a receptor or enzyme.
By assessing various binding poses in parallel, this approach enhances the efficiency of the docking process. It helps in ranking different compounds based on their predicted binding affinities, ultimately guiding scientists in selecting the best candidates for further development in the field of pharmaceutical research.