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Results: 1 to 20 of 354

1.

A general and fast scoring function for protein-ligand interactions: a simplified potential approach.

Muegge I, Martin YC.

J Med Chem. 1999 Mar 11;42(5):791-804.

PMID:
10072678
[PubMed - indexed for MEDLINE]
2.

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
[PubMed - indexed for MEDLINE]
3.

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
[PubMed - indexed for MEDLINE]
4.

SMall Molecule Growth 2001 (SMoG2001): an improved knowledge-based scoring function for protein-ligand interactions.

Ishchenko AV, Shakhnovich EI.

J Med Chem. 2002 Jun 20;45(13):2770-80.

PMID:
12061879
[PubMed - indexed for MEDLINE]
5.

A new concept for multidimensional selection of ligand conformations (MultiSelect) and multidimensional scoring (MultiScore) of protein-ligand binding affinities.

Terp GE, Johansen BN, Christensen IT, Jørgensen FS.

J Med Chem. 2001 Jul 5;44(14):2333-43.

PMID:
11428927
[PubMed - indexed for MEDLINE]
6.

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
[PubMed - indexed for MEDLINE]
7.

PMF scoring revisited.

Muegge I.

J Med Chem. 2006 Oct 5;49(20):5895-902.

PMID:
17004705
[PubMed - indexed for MEDLINE]
8.
9.

Estimating protein-ligand binding free energy: atomic solvation parameters for partition coefficient and solvation free energy calculation.

Pei J, Wang Q, Zhou J, Lai L.

Proteins. 2004 Dec 1;57(4):651-64.

PMID:
15390269
[PubMed - indexed for MEDLINE]
10.

Knowledge-based scoring functions in drug design: 2. Can the knowledge base be enriched?

Shen Q, Xiong B, Zheng M, Luo X, Luo C, Liu X, Du Y, Li J, Zhu W, Shen J, Jiang H.

J Chem Inf Model. 2011 Feb 28;51(2):386-97. doi: 10.1021/ci100343j. Epub 2010 Dec 30.

PMID:
21192670
[PubMed - indexed for MEDLINE]
11.

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
[PubMed - indexed for MEDLINE]
12.

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
[PubMed - indexed for MEDLINE]
13.

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
[PubMed - indexed for MEDLINE]
14.

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
[PubMed - indexed for MEDLINE]
15.

An improved PMF scoring function for universally predicting the interactions of a ligand with protein, DNA, and RNA.

Zhao X, Liu X, Wang Y, Chen Z, Kang L, Zhang H, Luo X, Zhu W, Chen K, Li H, Wang X, Jiang H.

J Chem Inf Model. 2008 Jul;48(7):1438-47. doi: 10.1021/ci7004719. Epub 2008 Jun 14.

PMID:
18553962
[PubMed - indexed for MEDLINE]
16.

A general approach for developing system-specific functions to score protein-ligand docked complexes using support vector inductive logic programming.

Amini A, Shrimpton PJ, Muggleton SH, Sternberg MJ.

Proteins. 2007 Dec 1;69(4):823-31.

PMID:
17910057
[PubMed - indexed for MEDLINE]
17.
18.

General and targeted statistical potentials for protein-ligand interactions.

Mooij WT, Verdonk ML.

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

PMID:
16106379
[PubMed - indexed for MEDLINE]
19.

An all atom energy based computational protocol for predicting binding affinities of protein-ligand complexes.

Jain T, Jayaram B.

FEBS Lett. 2005 Dec 5;579(29):6659-66. Epub 2005 Nov 4.

PMID:
16307743
[PubMed - indexed for MEDLINE]
Free Article
20.

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
[PubMed - indexed for MEDLINE]

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