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Items: 1 to 20 of 419

2.

DrugScoreRNA--knowledge-based scoring function to predict RNA-ligand interactions.

Pfeffer P, Gohlke H.

J Chem Inf Model. 2007 Sep-Oct;47(5):1868-76. Epub 2007 Aug 18.

PMID:
17705464
4.

Knowledge-based scoring function to predict protein-ligand interactions.

Gohlke H, Hendlich M, Klebe G.

J Mol Biol. 2000 Jan 14;295(2):337-56.

PMID:
10623530
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.

General and targeted statistical potentials for protein-ligand interactions.

Mooij WT, Verdonk ML.

Proteins. 2005 Nov 1;61(2):272-87.

PMID:
16106379
7.

Structure-based virtual screening with supervised consensus scoring: evaluation of pose prediction and enrichment factors.

Teramoto R, Fukunishi H.

J Chem Inf Model. 2008 Apr;48(4):747-54. doi: 10.1021/ci700464x. Epub 2008 Mar 5.

PMID:
18318474
8.

An iterative knowledge-based scoring function for protein-protein recognition.

Huang SY, Zou X.

Proteins. 2008 Aug;72(2):557-79. doi: 10.1002/prot.21949.

PMID:
18247354
9.

Steering protein-ligand docking with quantitative NMR chemical shift perturbations.

González-Ruiz D, Gohlke H.

J Chem Inf Model. 2009 Oct;49(10):2260-71. doi: 10.1021/ci900188r.

PMID:
19795907
10.

Ligand-supported homology modelling of protein binding-sites using knowledge-based potentials.

Evers A, Gohlke H, Klebe G.

J Mol Biol. 2003 Nov 21;334(2):327-45.

PMID:
14607122
11.
12.

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
13.

Docking into knowledge-based potential fields: a comparative evaluation of DrugScore.

Sotriffer CA, Gohlke H, Klebe G.

J Med Chem. 2002 May 9;45(10):1967-70.

PMID:
11985464
14.

Statistical potential for modeling and ranking of protein-ligand interactions.

Fan H, Schneidman-Duhovny D, Irwin JJ, Dong G, Shoichet BK, Sali A.

J Chem Inf Model. 2011 Dec 27;51(12):3078-92. doi: 10.1021/ci200377u. Epub 2011 Nov 21.

15.
17.

Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy.

Friesner RA, Banks JL, Murphy RB, Halgren TA, Klicic JJ, Mainz DT, Repasky MP, Knoll EH, Shelley M, Perry JK, Shaw DE, Francis P, Shenkin PS.

J Med Chem. 2004 Mar 25;47(7):1739-49.

PMID:
15027865
18.

A knowledge-based energy function for protein-ligand, protein-protein, and protein-DNA complexes.

Zhang C, Liu S, Zhu Q, Zhou Y.

J Med Chem. 2005 Apr 7;48(7):2325-35.

PMID:
15801826
19.

Improving binding mode predictions by docking into protein-specifically adapted potential fields.

Radestock S, Böhm M, Gohlke H.

J Med Chem. 2005 Aug 25;48(17):5466-79.

PMID:
16107145
20.

Information theory-based scoring function for the structure-based prediction of protein-ligand binding affinity.

Kulharia M, Goody RS, Jackson RM.

J Chem Inf Model. 2008 Oct;48(10):1990-8. doi: 10.1021/ci800125k. Epub 2008 Sep 4.

PMID:
18767831
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