What is Dockingserver good for?
Molecular docking is a method which predicts the preferred orientation of one molecule (ligand) to a second (protein) when forming a stable complex. Moreover, knowledge of the preferred orientation may be used to calculate the binding affinity between two molecules (e.g. free enthalpy of binding). With the aim of DockingServer, you do not need to be a computer expert to produce high-quality molecular modeling results. DockingServer does the most difficult parts of the molecular modeling job automatically: it calculates the geometry and electronic properties of the ligands at a given pH, prepares the protein structure to a dock-ready form, runs the calculations, and analyzes the results. Dockingserver can automatically handle multi-ligand files and process thousands of ligands with just a few clicks. Similarly, thousands of docking runs can be done with a few steps to identify the most effective small molecules for given targets.
