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TransCent: computational enzyme design by transferring active sites and considering constraints relevant for catalysis

Fischer, André, Enkler, Nils, Neudert, Gerd, Bocola, Marco, Sterner, Reinhard and Merkl, Rainer (2009) TransCent: computational enzyme design by transferring active sites and considering constraints relevant for catalysis. BMC Bioinformatics 10, p. 54.

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Date of publication of this fulltext: 18 Nov 2009 09:58

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Other URL: http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2667513/?tool=pubmed


Abstract

BACKGROUND: Computational enzyme design is far from being applicable for the general case. Due to computational complexity and limited knowledge of the structure-function interplay, heuristic methods have to be used. RESULTS: We have developed TransCent, a computational enzyme design method supporting the transfer of active sites from one enzyme to an alternative scaffold. In an optimization ...

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Item type:Article
Date:2009
Institutions:Biology, Preclinical Medicine > Institut für Biophysik und physikalische Biochemie > Prof. Dr. Rainer Merkl
Biology, Preclinical Medicine > Institut für Biophysik und physikalische Biochemie > Prof. Dr. Reinhard Sterner
Identification Number:
ValueType
19208235PubMed ID
10.1186/1471-2105-10-54DOI
Classification:
NotationType
Amino Acid SequenceMESH
Binding SitesMESH
CatalysisMESH
Catalytic Domain*MESH
Computational Biology/methods*MESH
Databases, ProteinMESH
Enzymes/chemistry*MESH
LigandsMESH
Models, MolecularMESH
Molecular Sequence DataMESH
Protein ConformationMESH
Sequence AlignmentMESH
Structure-Activity RelationshipMESH
Keywords:Amino Acid Sequence Binding Sites Catalysis *Catalytic Domain Computational Biology/*methods Databases, Protein Enzymes/*chemistry Ligands Models, Molecular Molecular Sequence Data Protein Conformation Sequence Alignment Structure-Activity Relationship
Dewey Decimal Classification:500 Science > 570 Life sciences
Status:Published
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Yes
Item ID:10907
Owner only: item control page

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