CrossDocker: a tool for performing cross-docking using Autodock Vina

BACKGROUND: Cross-docking is an approach to find the best holo structures among multiple structures available for a target protein. RESULTS: CrossDocker significantly decreases the time needed for setting parameters and inputs for performing multiple dockings, data collection and subsequent analysis...

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Detalles Bibliográficos
Autor principal: Shamsara, Jamal
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2016
Materias:
Software
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4797978/
https://www.ncbi.nlm.nih.gov/pubmed/27652002
http://dx.doi.org/10.1186/s40064-016-1972-4
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author Shamsara, Jamal
author_facet Shamsara, Jamal
author_sort Shamsara, Jamal
collection PubMed
description BACKGROUND: Cross-docking is an approach to find the best holo structures among multiple structures available for a target protein. RESULTS: CrossDocker significantly decreases the time needed for setting parameters and inputs for performing multiple dockings, data collection and subsequent analysis. CONCLUSION: CrossDocker was written in Python language and is available as executable binary for Windows operating system. It is available at http://www.pharm-sbg.com. Some example data sets were also provided.
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spelling pubmed-47979782016-09-20 CrossDocker: a tool for performing cross-docking using Autodock Vina Shamsara, Jamal Springerplus Software BACKGROUND: Cross-docking is an approach to find the best holo structures among multiple structures available for a target protein. RESULTS: CrossDocker significantly decreases the time needed for setting parameters and inputs for performing multiple dockings, data collection and subsequent analysis. CONCLUSION: CrossDocker was written in Python language and is available as executable binary for Windows operating system. It is available at http://www.pharm-sbg.com. Some example data sets were also provided. Springer International Publishing 2016-03-17 /pmc/articles/PMC4797978/ /pubmed/27652002 http://dx.doi.org/10.1186/s40064-016-1972-4 Text en © Shamsara. 2016 Open AccessThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made.
spellingShingle Software
Shamsara, Jamal
CrossDocker: a tool for performing cross-docking using Autodock Vina
title CrossDocker: a tool for performing cross-docking using Autodock Vina
title_full CrossDocker: a tool for performing cross-docking using Autodock Vina
title_fullStr CrossDocker: a tool for performing cross-docking using Autodock Vina
title_full_unstemmed CrossDocker: a tool for performing cross-docking using Autodock Vina
title_short CrossDocker: a tool for performing cross-docking using Autodock Vina
title_sort crossdocker: a tool for performing cross-docking using autodock vina
topic Software
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4797978/
https://www.ncbi.nlm.nih.gov/pubmed/27652002
http://dx.doi.org/10.1186/s40064-016-1972-4
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