RxDock is a fork of rDock, a fast, versatile and open-source program for docking ligands to proteins and nucleic acids. RxDock started in 2019 with the goal of updating the code for running on modern computer systems (including supercomputers), enabling cross-platform usage, improving the
... [More] command-line and application programming interfaces, and implementing newer and better performing algorithms. [Less]
rDock is a fast and versatile Open Source docking program that can be used to dock small molecules against proteins and nucleic acids. It is designed for High Throughput Virtual Screening (HTVS) campaigns and Binding Mode prediction studies.
Thanks to its design and implementation, it can be
... [More] installed on a computation cluster and deployed on an unlimited number of CPUs, allowing HTVS campaigns to be carried out in a matter of days.
The rDock program was developed from 1998 to 2006 by the software team at RiboTargets (subsequently Vernalis (R&D) Ltd). In 2006, the software was licensed to the University of York for maintenance and distribution. In 2012, Vernalis and the University of York agreed to release the program as Open Source software. [Less]