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rDock - The Molecular Docking Platform |
| What is rDock? |
| 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. |