VSDocker: a tool for parallel high-throughput virtual screening using AutoDock on Windows-based computer clusters.

Prakhov, Nikita D; Chernorudskiy, Alexander L; Gainullin, Murat R · Bioinformatics · 2010

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Abstract

VSDocker is an original program that allows using AutoDock4 for optimized virtual ligand screening on computer clusters or multiprocessor workstations. This tool is the first implementation of parallel high-performance virtual screening of ligands for MS Windows-based computer systems. VSDocker 2.0 is freely available for non-commercial use at http://www.bio.nnov.ru/projects/vsdocker2/ nikita.prakhov@gmail.com Supplementary data are available at Bioinformatics online.

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