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Results: 1 to 20 of 127

1.

Enzyme classification by ligand binding.

Izrailev S, Farnum MA.

Proteins. 2004 Dec 1;57(4):711-24.

PMID:
15476211
[PubMed - indexed for MEDLINE]
2.

Similarity metrics for ligands reflecting the similarity of the target proteins.

Schuffenhauer A, Floersheim P, Acklin P, Jacoby E.

J Chem Inf Comput Sci. 2003 Mar-Apr;43(2):391-405.

PMID:
12653501
[PubMed - indexed for MEDLINE]
3.

BRENDA, the enzyme database: updates and major new developments.

Schomburg I, Chang A, Ebeling C, Gremse M, Heldt C, Huhn G, Schomburg D.

Nucleic Acids Res. 2004 Jan 1;32(Database issue):D431-3.

PMID:
14681450
[PubMed - indexed for MEDLINE]
Free PMC Article
4.

An ontology for pharmaceutical ligands and its application for in silico screening and library design.

Schuffenhauer A, Zimmermann J, Stoop R, van der Vyver JJ, Lecchini S, Jacoby E.

J Chem Inf Comput Sci. 2002 Jul-Aug;42(4):947-55.

PMID:
12132896
[PubMed - indexed for MEDLINE]
5.

Domain-based small molecule binding site annotation.

Snyder KA, Feldman HJ, Dumontier M, Salama JJ, Hogue CW.

BMC Bioinformatics. 2006 Mar 17;7:152.

PMID:
16545112
[PubMed - indexed for MEDLINE]
Free PMC Article
6.

Fold independent structural comparisons of protein-ligand binding sites for exploring functional relationships.

Gold ND, Jackson RM.

J Mol Biol. 2006 Feb 3;355(5):1112-24. Epub 2005 Dec 1.

PMID:
16359705
[PubMed - indexed for MEDLINE]
7.

LIGAND database for enzymes, compounds and reactions.

Goto S, Nishioka T, Kanehisa M.

Nucleic Acids Res. 1999 Jan 1;27(1):377-9.

PMID:
9847234
[PubMed - indexed for MEDLINE]
Free PMC Article
8.

Generalized modeling of enzyme-ligand interactions using proteochemometrics and local protein substructures.

Strömbergsson H, Kryshtafovych A, Prusis P, Fidelis K, Wikberg JE, Komorowski J, Hvidsten TR.

Proteins. 2006 Nov 15;65(3):568-79.

PMID:
16948162
[PubMed - indexed for MEDLINE]
9.

BRENDA, enzyme data and metabolic information.

Schomburg I, Chang A, Schomburg D.

Nucleic Acids Res. 2002 Jan 1;30(1):47-9.

PMID:
11752250
[PubMed - indexed for MEDLINE]
Free PMC Article
10.

From the similarity analysis of protein cavities to the functional classification of protein families using cavbase.

Kuhn D, Weskamp N, Schmitt S, Hüllermeier E, Klebe G.

J Mol Biol. 2006 Jun 16;359(4):1023-44. Epub 2006 Apr 25.

PMID:
16697007
[PubMed - indexed for MEDLINE]
12.

BRENDA, AMENDA and FRENDA the enzyme information system: new content and tools in 2009.

Chang A, Scheer M, Grote A, Schomburg I, Schomburg D.

Nucleic Acids Res. 2009 Jan;37(Database issue):D588-92. doi: 10.1093/nar/gkn820. Epub 2008 Nov 4.

PMID:
18984617
[PubMed - indexed for MEDLINE]
Free PMC Article
13.

EzCatDB: the Enzyme Catalytic-mechanism Database.

Nagano N.

Nucleic Acids Res. 2005 Jan 1;33(Database issue):D407-12.

PMID:
15608227
[PubMed - indexed for MEDLINE]
Free PMC Article
14.

Ligand-based virtual screening by novelty detection with self-organizing maps.

Hristozov D, Oprea TI, Gasteiger J.

J Chem Inf Model. 2007 Nov-Dec;47(6):2044-62. Epub 2007 Sep 14.

PMID:
17854167
[PubMed - indexed for MEDLINE]
15.

Interaction model based on local protein substructures generalizes to the entire structural enzyme-ligand space.

Strömbergsson H, Daniluk P, Kryshtafovych A, Fidelis K, Wikberg JE, Kleywegt GJ, Hvidsten TR.

J Chem Inf Model. 2008 Nov;48(11):2278-88. doi: 10.1021/ci800200e.

PMID:
18937438
[PubMed - indexed for MEDLINE]
16.

Cognate ligand domain mapping for enzymes.

Bashton M, Nobeli I, Thornton JM.

J Mol Biol. 2006 Dec 8;364(4):836-52. Epub 2006 Sep 20.

PMID:
17034815
[PubMed - indexed for MEDLINE]
17.

Protein structural change upon ligand binding correlates with enzymatic reaction mechanism.

Koike R, Amemiya T, Ota M, Kidera A.

J Mol Biol. 2008 Jun 6;379(3):397-401. doi: 10.1016/j.jmb.2008.04.019. Epub 2008 Apr 11.

PMID:
18455184
[PubMed - indexed for MEDLINE]
18.

SCOWLP: a web-based database for detailed characterization and visualization of protein interfaces.

Teyra J, Doms A, Schroeder M, Pisabarro MT.

BMC Bioinformatics. 2006 Mar 2;7:104.

PMID:
16512892
[PubMed - indexed for MEDLINE]
Free PMC Article
19.

Predicting enzyme class from protein structure without alignments.

Dobson PD, Doig AJ.

J Mol Biol. 2005 Jan 7;345(1):187-99.

PMID:
15567421
[PubMed - indexed for MEDLINE]
20.

BRENDA in 2013: integrated reactions, kinetic data, enzyme function data, improved disease classification: new options and contents in BRENDA.

Schomburg I, Chang A, Placzek S, Söhngen C, Rother M, Lang M, Munaretto C, Ulas S, Stelzer M, Grote A, Scheer M, Schomburg D.

Nucleic Acids Res. 2013 Jan;41(Database issue):D764-72. doi: 10.1093/nar/gks1049. Epub 2012 Nov 29.

PMID:
23203881
[PubMed - indexed for MEDLINE]
Free PMC Article
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