Molecular Docking Service

Molecular docking is a structure-based drug design method that predicts the binding mode and affinity by studying the interaction of small molecule ligands with receptor biomacromolecules. Molecular docking methods are widely used in the fields of enzymology research and drug design. Since the 1982 Kuntz team of California State University San Francisco developed the first molecular docking software DOCK, scientists have developed a variety of theoretical models and docking algorithms.