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Abstracts
of Key Research Articles
Ligand docking and structure-based virtual screening in drug discovery
Cavasotto CN, Orry AJW
Curr Top Med Chem. 2007;7(10):1006-1014.
Virtual high-throughput screening of molecular databases
Seifert MHJ, Kraus J, Kramer B
Curr Opin Drug Discov Devel. 2007;10(3):298-307
Comparison of shape-matching and docking as virtual screening tools
Hawkins PCD, Skillman AG, Nicholls A
J Med Chem. 2007; 50(1):74-82
Benchmarking sets for molecular docking
Huang N, Shoichet BK, Irwin JJ
J Med Chem. 2006; 49(23):6789-6801
Scoring functions for protein-ligand docking
Jain, AN
Curr Protein Pept Sci. 2006;7(5):407-420
Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes
Friesner RA, Murphy RB, Repasky MP, Frye LL, Greenwood JR, Halgren TA, Sanschagrin PC, Mainz DT
J Med Chem. 2006;49(21):6177-6196
Minimizing false positives in kinase virtual screens
Perola E
Proteins. 2006; 64(2):422-435
On evaluating molecular-docking methods for pose prediction and enrichment factors
Chen H, Lyne PD, Giordanetto F, Lovell T, Li J
J Chem Inf Model. 2006; 46(1):401-415
Screening drug-like compounds by docking to homology models: a systematic study
Kairys V, Fernandes MX, Gilson MK
J Chem Inf Model. 2006; 46(1):365-379
A critical assessment of docking programs and scoring functions
Warren GL, Andrews CW, Capelli AM, Clarke B, LaLonde J, Lambert MH, Lindvall M, Nevins N, Semus SF, Senger S, Tedesco G, Wall ID, Woolven JM, Peishoff CE, Head MS
J Med Chem. 2006; 49(20):5912-5931
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