|rDock is a suite of tools developed and tested over a number of years initially at RiboTargets, then Vernalis, before moving more recently to the York Structural Biology Laboratory (YSBL) at the University of York. rDock is a program for docking small molecules to protein and RNA targets. It can be used for molecular docking or for virtual screening.|
In virtual screening rDock is capable of screening ligands from a library of compounds for binding to a defined cavity, and empirically scores these based on intermolecular, ligand and site intramolecular and external restraint terms.A variety of scripts are provided to launch virtual screening campaigns against a protein or RNA molecule of interest.
rDock is very fast, providing high quality predictions of ligand conformations and good correlations with predicted pose and experimentally determined ones.