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
Descripción
Sumario: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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