rDock (previously RiboDock) is an open-source

molecular docking In the field of molecular modeling, docking is a method which predicts the preferred orientation of one molecule to a second when a ligand and a target are bound to each other to form a stable complex. Knowledge of the preferred orientation in t ...

software that be used for docking small molecules against proteins and nucleic acids. It is primarily designed for high-throughput

virtual screening Virtual screening (VS) is a computational technique used in drug discovery to search libraries of small molecules in order to identify those structures which are most likely to bind to a drug target, typically a protein receptor (biochemistry), r ...

and prediction of binding mode.

History

The development of rDock started in 1998 in RiboTargets (later Vernalis (R&D) Ltd). The software was originally called RiboDock. The development went on until 2006 when the software was licensed to

University of York The University of York (abbreviated as or ''York'' for Post-nominal letters, post-nominals) is a public Collegiate university, collegiate research university in York, England. Established in 1963, the university has expanded to more than thir ...

for academic distribution and also maintenance. Six years later, in 2012, Vernalis and University of York decided to release rDock as open-source software to allow its further development by the wider community. The version that was released as open source is developed and supported by

University of Barcelona The University of Barcelona (official name in ; UB), formerly also known as Central University of Barcelona (), is a public research university located in the city of Barcelona, Catalonia, Spain. It was established in 1450. With 76,000 students, ...

SourceForge SourceForge is a web service founded by Geoffrey B. Jeffery, Tim Perdue, and Drew Streib in November 1999. SourceForge provides a centralized software discovery platform, including an online platform for managing and hosting open-source soft ...

. The development on SourceForge stalled after June 2014 and the repository is considered deprecated after the migration to

GitHub GitHub () is a Proprietary software, proprietary developer platform that allows developers to create, store, manage, and share their code. It uses Git to provide distributed version control and GitHub itself provides access control, bug trackin ...

. A

fork In cutlery or kitchenware, a fork (from 'pitchfork') is a utensil, now usually made of metal, whose long handle terminates in a head that branches into several narrow and often slightly curved tines with which one can spear foods either to h ...

named RxDock continued the development of rDock from April 2019 until March 2022 on

GitLab GitLab is a software forge primarily developed by GitLab Inc. It is available as a community edition and a commercial edition. History GitLab was created in 2011 by Ukrainian programmer Dmitriy Zaporozhets as a side project written in Rub ...

. As of April 2022, the RxDock project development activity is very low.

References

External links

rDock - The Molecular Docking Platform (University of York)rDock - A Fast, Versatile and Open Source Program for Docking Ligands to Proteins and Nucleic Acids (SourceForge)RxDock (fork of rDock)CmDock (fork of RxDock)Barril Lab Software (University of Barcelona)
Molecular modelling software Molecular modelling Free and open-source software Software using the GNU Lesser General Public License Free software programmed in C++ {{science-software-stub

History

See also

References

External links