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

Bioinformatics

Volumn 26, Issue 10, 2010, Pages 1374-1375

  Prakhov, Nikita D ^a,b   Chernorudskiy, Alexander L ^b,d   Gainullin, Murat R ^b,c  

^a LOBACHEVSKY STATE UNIVERSITY OF NIZHNY NOVGOROD   (Russian Federation)

^b PRIVOLZHSKY RESEARCH MEDICAL UNIVERSITY   (Russian Federation)

^c UNIVERSITY OF COIMBRA   (Portugal)

^d FIRC INSTITUTE OF MOLECULAR ONCOLOGY   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

LIGAND;

ALGORITHM; ARTICLE; BIOLOGY; COMPUTER GRAPHICS; COMPUTER PROGRAM; METHODOLOGY;

ALGORITHMS; COMPUTATIONAL BIOLOGY; COMPUTER GRAPHICS; LIGANDS; SOFTWARE;

EID: 77952832378     PISSN: 13674803     EISSN: 14602059     Source Type: Journal    
DOI: 10.1093/bioinformatics/btq149     Document Type: Article

References (7)

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2. Huey, R. et al. (2007) A semiempirical free energy force field with charge-based desolvation. J. Comput. Chem., 28, 1145-1152.
3. Irwin, J.J. and Shoichet, B.K. (2005) ZINC - a free database of commercially available compounds for virtual screening. J. Chem. Inf. Model., 45, 177-182.
4. Jiang, X. et al. (2008) DOVIS 2.0: an efficient and easy to use parallel virtual screening tool based on AutoDock 4.0. Chem. Cent. J., 2, 18.
5. Morris, G.M. et al. (2009) AutoDock4 and AutoDockTools4: automated docking with selective receptor flexibility. J. Comput. Chem., 30, 2785-2791.
6. Trott, O. and Olson, A.J. (2010) AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. J. Comput. Chem., 31, 455-461.
7. Zhang, S. et al. (2008) DOVIS: an implementation for high-throughput virtual screening using AutoDock. BMC Bioinformatics, 9, 126.