rDock (previously RiboDock) is an open-source molecular docking software that be used for docking small molecules against proteins and nucleic acids. It is primarily designed for high-throughputvirtual screening and prediction of binding mode.
The development of rDock started in 1998 in RiboTargets (later Vernalis (R&D) Ltd).[1] The software was originally called RiboDock.[2] The development went on until 2006 when the software was licensed to University of York 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 on SourceForge.[3] The development on SourceForge stalled after June 2014 and the repository is considered deprecated after the migration to GitHub.[4][5]
A fork named RxDock continued the development of rDock from April 2019 until March 2022 on GitLab.[6][7][8] As of April 2022, the RxDock project development activity is very low.[9]
^Morley SD, Afshar M (March 2004). "Validation of an empirical RNA-ligand scoring function for fast flexible docking using RiboDock(r)". Journal of Computer-Aided Molecular Design. 18 (3): 189–208. Bibcode:2004JCAMD..18..189M. doi:10.1023/B:JCAM.0000035199.48747.1e. PMID 15368919. S2CID 11935115.
^Ruiz-Carmona S, Alvarez-Garcia D, Foloppe N, Garmendia-Doval AB, Juhos S, Schmidtke P, Barril X, Hubbard RE, Morley SD (April 2014). Prlic A (ed.). "rDock: a fast, versatile and open source program for docking ligands to proteins and nucleic acids". PLOS Computational Biology. 10 (4): e1003571. Bibcode:2014PLSCB..10E3571R. doi:10.1371/journal.pcbi.1003571. PMC3983074. PMID 24722481.
^"Project: Modernization, modularization, and active maintenance of RxDock, a fast, versatile, and open-source program for docking ligands to proteins and nucleic acids (April 2019 – March 2022) (Research - RxTx)". rxtxresearch.github.io. Retrieved 2023-01-19.
^"The RxDock Open Source Project on Open Hub". www.openhub.net. Retrieved 2022-04-24.
External linksedit
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)
rdock, previously, ribodock, open, source, molecular, docking, software, that, used, docking, small, molecules, against, proteins, nucleic, acids, primarily, designed, high, throughput, virtual, screening, prediction, binding, mode, logo, original, author, ver. rDock previously RiboDock is an open source molecular docking software that be used for docking small molecules against proteins and nucleic acids It is primarily designed for high throughput virtual screening and prediction of binding mode rDockLogo of rDockOriginal author s Vernalis R amp DDeveloper s University of York University of BarcelonaInitial release1998 26 years ago 1998 Stable release2013 1 June 13 2014 9 years ago 2014 06 13 Repositorygithub wbr com wbr CBDD wbr rDockWritten inC Operating systemLinuxTypeProtein ligand dockingLicenseGNU LGPLWebsiterdock wbr sourceforge wbr net Contents 1 History 2 See also 3 References 4 External linksHistory editThe development of rDock started in 1998 in RiboTargets later Vernalis R amp D Ltd 1 The software was originally called RiboDock 2 The development went on until 2006 when the software was licensed to University of York 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 on SourceForge 3 The development on SourceForge stalled after June 2014 and the repository is considered deprecated after the migration to GitHub 4 5 A fork named RxDock continued the development of rDock from April 2019 until March 2022 on GitLab 6 7 8 As of April 2022 the RxDock project development activity is very low 9 See also editDocking molecular Virtual screening List of protein ligand docking softwareReferences edit About rDock Retrieved 2019 05 22 Morley SD Afshar M March 2004 Validation of an empirical RNA ligand scoring function for fast flexible docking using RiboDock r Journal of Computer Aided Molecular Design 18 3 189 208 Bibcode 2004JCAMD 18 189M doi 10 1023 B JCAM 0000035199 48747 1e PMID 15368919 S2CID 11935115 Ruiz Carmona S Alvarez Garcia D Foloppe N Garmendia Doval AB Juhos S Schmidtke P Barril X Hubbard RE Morley SD April 2014 Prlic A ed rDock a fast versatile and open source program for docking ligands to proteins and nucleic acids PLOS Computational Biology 10 4 e1003571 Bibcode 2014PLSCB 10E3571R doi 10 1371 journal pcbi 1003571 PMC 3983074 PMID 24722481 rDock SVN Commit r24 sourceforge net Retrieved 2019 09 15 Download rDock Retrieved 2023 01 19 RxDock rxdock gitlab io Retrieved 2022 04 24 RxDock RxDock GitLab Retrieved 2019 09 15 Project Modernization modularization and active maintenance of RxDock a fast versatile and open source program for docking ligands to proteins and nucleic acids April 2019 March 2022 Research RxTx rxtxresearch github io Retrieved 2023 01 19 The RxDock Open Source Project on Open Hub www openhub net Retrieved 2022 04 24 External links editrDock 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 Barril Lab Software University of Barcelona nbsp This scientific software article is a stub You can help Wikipedia by expanding it vte Retrieved from https en wikipedia org w index php title RDock amp oldid 1191219354, wikipedia, wiki, book, books, library,
