Fast, accurate, and reliable molecular docking with QuickVina 2

Bioinformatics

Volumn 31, Issue 13, 2015, Pages 2214-2216

  Alhossary, Amr ^a   Handoko, Stephanus Daniel ^b   Mu, Yuguang ^c   Kwoh, Chee Keong ^a  

^a NANYANG TECHNOLOGICAL UNIVERSITY   (Singapore)

^b SINGAPORE MANAGEMENT UNIVERSITY   (Singapore)

^c NANYANG TECHNOLOGICAL UNIVERSITY   (Singapore)

Author keywords

[No Author keywords available]

Indexed keywords

LIGAND; PROTEIN;

BIOLOGY; CHEMISTRY; COMPUTER PROGRAM; DRUG DATABASE; DRUG DESIGN; HUMAN; METABOLISM; MOLECULAR DOCKING; PROCEDURES;

COMPUTATIONAL BIOLOGY; DATABASES, PHARMACEUTICAL; DRUG DESIGN; HUMANS; LIGANDS; MOLECULAR DOCKING SIMULATION; PROTEINS; SOFTWARE;

EID: 84936802766     PISSN: 13674803     EISSN: 14602059     Source Type: Journal    
DOI: 10.1093/bioinformatics/btv082     Document Type: Article

References (4)

1. Cheng,T. et al. (2009) Comparative assessment of scoring functions on a diverse test set. J. Chem. Inform. Model., 49, 1079-1093.
2. Handoko,S.D. et al. (2012) QuickVina: accelerating AutoDock Vina using gradient-based heuristics for global optimization, IEEE/ACM Trans. Comput. Biol. Bioinform., 9, 1266-1272.
3. 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.
4. Wang,R. et al. (2005) The PDBbind database: methodologies and updates. J. Med. Chem., 48, 4111-4119.