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CABS-dock standalone: A toolbox for flexible protein-peptide docking

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dc.abstract.enCABS-dock standalone is a multiplatform Python package for protein-peptide docking with backbone flexibility. The main feature of the CABS-dock method is its ability to simulate significant backbone flexibility of the entire protein-peptide system in a reasonable computational time. In the default mode, the package runs a simulation of fully flexible peptide searching for a binding site on the surface of a flexible protein receptor. The flexibility level of the molecules may be defined by the user. Furthermore, the CABS-dock standalone application provides users with full control over the docking simulation from the initial setup to the analysis of results. The standalone version is an upgrade of the original web server implementation - it introduces a number of customizable options, provides support for large-sized systems and offers a framework for deeper analysis of docking results. Availability and implementation: CABS-dock standalone is distributed under the MIT licence, which is free for academic and non-profit users. It is implemented in Python and Fortran. The CABS-dock standalone source code, wiki with documentation and examples of use and installation instructions for Linux, macOS and Windows are available in the CABS-dock standalone repository at https://bitbucket.org/lcbio/cabsdock.
dc.affiliationUniwersytet Warszawski
dc.contributor.authorBadaczewska-Dawid, Aleksandra Elżbieta
dc.contributor.authorCiemny, Maciej Paweł
dc.contributor.authorKmiecik, Sebastian
dc.contributor.authorKuriata, Aleksander
dc.contributor.authorOleniecki, Tymoteusz
dc.contributor.authorKoliński, Andrzej
dc.contributor.authorKurciński, Mateusz
dc.date.accessioned2024-01-24T18:57:46Z
dc.date.available2024-01-24T18:57:46Z
dc.date.issued2019
dc.description.accesstimeAT_PUBLICATION
dc.description.financeNie dotyczy
dc.description.number20
dc.description.versionFINAL_PUBLISHED
dc.description.volume35
dc.identifier.doi10.1093/BIOINFORMATICS/BTZ185
dc.identifier.issn1367-4803
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/102636
dc.languageeng
dc.pbn.affiliationchemical sciences
dc.relation.ispartofBioinformatics
dc.relation.pages4170-4172
dc.rightsCC-BY
dc.sciencecloudnosend
dc.titleCABS-dock standalone: A toolbox for flexible protein-peptide docking
dc.typeJournalArticle
dspace.entity.typePublication