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Items: 1 to 20 of 116

1.

Consensus scoring for ligand/protein interactions.

Clark RD, Strizhev A, Leonard JM, Blake JF, Matthew JB.

J Mol Graph Model. 2002 Jan;20(4):281-95.

PMID:
11858637
2.

Comparison of consensus scoring strategies for evaluating computational models of protein-ligand complexes.

Oda A, Tsuchida K, Takakura T, Yamaotsu N, Hirono S.

J Chem Inf Model. 2006 Jan-Feb;46(1):380-91.

PMID:
16426072
3.

A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance.

Perola E, Walters WP, Charifson PS.

Proteins. 2004 Aug 1;56(2):235-49.

PMID:
15211508
4.

Comparative assessment of scoring functions on a diverse test set.

Cheng T, Li X, Li Y, Liu Z, Wang R.

J Chem Inf Model. 2009 Apr;49(4):1079-93. doi: 10.1021/ci9000053.

PMID:
19358517
5.

Assessing scoring functions for protein-ligand interactions.

Ferrara P, Gohlke H, Price DJ, Klebe G, Brooks CL 3rd.

J Med Chem. 2004 Jun 3;47(12):3032-47.

PMID:
15163185
6.

The consequences of scoring docked ligand conformations using free energy correlations.

Spyrakis F, Amadasi A, Fornabaio M, Abraham DJ, Mozzarelli A, Kellogg GE, Cozzini P.

Eur J Med Chem. 2007 Jul;42(7):921-33. Epub 2007 Jan 21.

PMID:
17346861
7.

Maximum common binding modes (MCBM): consensus docking scoring using multiple ligand information and interaction fingerprints.

Renner S, Derksen S, Radestock S, Mörchen F.

J Chem Inf Model. 2008 Feb;48(2):319-32. doi: 10.1021/ci7003626. Epub 2008 Jan 23.

PMID:
18211051
9.

Catalytic site prediction and virtual screening of cytochrome P450 2D6 substrates by consideration of water and rescoring in automated docking.

de Graaf C, Oostenbrink C, Keizers PH, van der Wijst T, Jongejan A, Vermeulen NP.

J Med Chem. 2006 Apr 20;49(8):2417-30.

PMID:
16610785
10.

An extensive test of 14 scoring functions using the PDBbind refined set of 800 protein-ligand complexes.

Wang R, Lu Y, Fang X, Wang S.

J Chem Inf Comput Sci. 2004 Nov-Dec;44(6):2114-25.

PMID:
15554682
11.

Bootstrap-based consensus scoring method for protein-ligand docking.

Fukunishi H, Teramoto R, Takada T, Shimada J.

J Chem Inf Model. 2008 May;48(5):988-96. doi: 10.1021/ci700204v. Epub 2008 Apr 22.

PMID:
18426197
12.

Testing assumptions and hypotheses for rescoring success in protein-ligand docking.

O'Boyle NM, Liebeschuetz JW, Cole JC.

J Chem Inf Model. 2009 Aug;49(8):1871-8. doi: 10.1021/ci900164f.

PMID:
19645429
13.

Protein-based virtual screening of chemical databases. 1. Evaluation of different docking/scoring combinations.

Bissantz C, Folkers G, Rognan D.

J Med Chem. 2000 Dec 14;43(25):4759-67.

PMID:
11123984
14.

Comparative evaluation of 11 scoring functions for molecular docking.

Wang R, Lu Y, Wang S.

J Med Chem. 2003 Jun 5;46(12):2287-303.

PMID:
12773034
15.

Supervised consensus scoring for docking and virtual screening.

Teramoto R, Fukunishi H.

J Chem Inf Model. 2007 Mar-Apr;47(2):526-34. Epub 2007 Feb 13.

PMID:
17295466
16.

Structural artifacts in protein-ligand X-ray structures: implications for the development of docking scoring functions.

Søndergaard CR, Garrett AE, Carstensen T, Pollastri G, Nielsen JE.

J Med Chem. 2009 Sep 24;52(18):5673-84. doi: 10.1021/jm8016464.

PMID:
19711919
17.
18.

Evaluation of docking performance: comparative data on docking algorithms.

Kontoyianni M, McClellan LM, Sokol GS.

J Med Chem. 2004 Jan 29;47(3):558-65.

PMID:
14736237
19.

Investigation of MM-PBSA rescoring of docking poses.

Thompson DC, Humblet C, Joseph-McCarthy D.

J Chem Inf Model. 2008 May;48(5):1081-91. doi: 10.1021/ci700470c. Epub 2008 May 9.

PMID:
18465849
20.

Validation studies of the site-directed docking program LibDock.

Rao SN, Head MS, Kulkarni A, LaLonde JM.

J Chem Inf Model. 2007 Nov-Dec;47(6):2159-71. Epub 2007 Nov 7.

PMID:
17985863

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