Software news and updates AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

Journal of Computational Chemistry

Volumn 30, Issue 16, 2009, Pages 2785-2791

  Morris, Garrett M ^a   Ruth, Huey ^a   Lindstrom, William ^a   Sanner, Michel F ^a   Belew, Richard K ^b   Goodsell, David S ^a   Olson, Arthur J ^a  

^a SCRIPPS RESEARCH INSTITUTE   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Autodock; Computational docking; Computer aided drug design; Covalent ligands; Protein flexibility

Indexed keywords

AUTODOCK; COMPUTATIONAL DOCKING; COMPUTER-AIDED DRUG DESIGN; COVALENT LIGANDS; PROTEIN FLEXIBILITY;

DOCKING; GRAPHICAL USER INTERFACES;

LIGANDS;

LIGAND; PROTEIN;

ARTICLE; CHEMICAL STRUCTURE; COMPUTER PROGRAM; METABOLISM; PROTEIN BINDING;

LIGANDS; MODELS, MOLECULAR; PROTEIN BINDING; PROTEINS; SOFTWARE;

EID: 70349932423     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21256     Document Type: Article

References (20)

1. Leach, A. R.; Shoichet, B. K.; Peishoff, C. E. J Med Chem 2006, 49, 5851.
2. Coupez, B.; Lewis, R. A. Curr Med Chem 2006, 13, 2995.
3. Sousa, S. F.; Femandes, P. A.; Ramos, M. J. Proteins 2006, 65, 15.
4. Mohan, V.; Gibbs, A. C.; Cummings, M. D.; Jaeger, E. P.; DesJarlais, R. L. Curr Pharm Des 2005, 11, 323.
5. Kitchen, D. B.; Decornez, H.; Furr, J. R.; Bajorath, J. Nat Rev Drug Discov 2004, 3, 935.
6. Brooijmans, N.; Kuntz, I. D. Annu Rev Biophys Biomol Struct 2003, 32, 335.
7. Taylor, R. D.; Jewsbury, P. J.; Essex, J. W. J Comput Aided Mol Design 2002, 16, 151.
8. Halperin, I.; Ma, B.; Wolfson, H.; Nussinov, R. Proteins: Struct Funct Genet 2002, 47, 409.
9. Morris, G. M.; Goodsell, D. S.; Halliday, R. S.; Huey, R.; Hart, W. E.; Belew, R. K.; Olson, A. J. J Comput Chem 1998, 19, 1639.
10. Goodsell, D. S.; Olson, A. J. Proteins: Struct Funct Genet 1990, 8, 195.
11. Huey, R.; Morris, G. M.; Olson, A. J.; Goodsell, D. S. J Comput Chem 2006, 28, 1145.
12. Osterberg, F.; Morris, G. M.; Sanner, M. F.; Olson, A. J.; Goodsell, D. S. Proteins: Struct Funct Genet 2002, 46, 34.
13. Morris, G. M.; Goodsell, D. S.; Huey, R.; Olson, A. J. J Comput Aided Mol Design 1996, 10, 293.
14. Goodsell, D. S.; Morris, G. M.; Olson, A. J. J Mol Recogn 1996, 9, 1.
15. Lutz, M.; Asher, D. Learning Python; O'Reilly & Associates: Sebas- topol, CA, 1999.
16. Sanner, M. F. J Mol Graphics Mod 1999, 17, 57.
17. Sanner, M. F. Structure 2005, 13, 447.
18. Gasteiger, J.; Marsili, M. Tetrahedron 1980, 36, 3219.
19. Zhao, Y.; Stoffler, D.; Sanner, M. F. Bioinformatics 2006, 22, 2768.
20. Zhao, Y.; Sanner, M. F. J Comput Aided Mol Des 2007, 22, 673.