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

CrossDocker:一款使用 Autodock Vina 执行交叉停靠的工具

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Abstract

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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