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

Nikita D. Prakhov | Zendy; Alexander Chernorudskiy | Zendy; Murat Gainullin | Zendy

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

Author(s) -

Nikita D. Prakhov,

Alexander Chernorudskiy,

Murat Gainullin

Publication year - 2010

Publication title -

bioinformatics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 3.599

H-Index - 390

eISSN - 1367-4811

pISSN - 1367-4803

DOI - 10.1093/bioinformatics/btq149

Subject(s) - computer science , workstation , operating system , multiprocessing , autodock , throughput , virtual screening , software , parallel computing , virtual machine , bioinformatics , biology , in silico , wireless , gene , drug discovery , biochemistry , chemistry

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.

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