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Published on: June 20, 2025
VSDocker: a tool for parallel high-throughput virtual screening using AutoDock on Windows-based computer clusters
Nikita D Prakhov1, Alexander L Chernorudskiy, Murat R Gainullin
1Faculty of Biology, Nizhny Novgorod State University, 23 Gagarin Avenue, 603950 Nizhny Novgorod, Russia. nikita.prakhov@gmail.com
Summary:
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.
Availability:
VSDocker 2.0 is freely available for non-commercial use at http://www.bio.nnov.ru/projects/vsdocker2/
Contact:
nikita.prakhov@gmail.com
Supplementary Information:
Supplementary data are available at Bioinformatics online.
