Source:http://linkedlifedata.com/resource/pubmed/id/11159328
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rdf:type | |
lifeskim:mentions | |
pubmed:issue |
12
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pubmed:dateCreated |
2001-2-22
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pubmed:abstractText |
MOTIVATION: Automatic decomposition of a multi-domain protein into individual domains represents a highly interesting and unsolved problem. As the number of protein structures in PDB is growing at an exponential rate, there is clearly a need for more reliable and efficient methods for protein domain decomposition simply to keep the domain databases up-to-date. RESULTS: We present a new algorithm for solving the domain decomposition problem, using a graph-theoretic approach. We have formulated the problem as a network flow problem, in which each residue of a protein is represented as a node of the network and each residue--residue contact is represented as an edge with a particular capacity, depending on the type of the contact. A two-domain decomposition problem is solved by finding a bottleneck (or a minimum cut) of the network, which minimizes the total cross-edge capacity, using the classical Ford--Fulkerson algorithm. A multi-domain decomposition problem is solved through repeatedly solving a series of two-domain problems. The algorithm has been implemented as a computer program, called DomainParser. We have tested the program on a commonly used test set consisting of 55 proteins. The decomposition results are 78.2% in agreement with the literature on both the number of decomposed domains and the assignments of residues to each domain, which compares favorably to existing programs. On the subset of two-domain proteins (20 in number), the program assigned 96.7% of the residues correctly when we require that the number of decomposed domains is two.
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pubmed:commentsCorrections | |
pubmed:language |
eng
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pubmed:journal | |
pubmed:citationSubset |
IM
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pubmed:status |
MEDLINE
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pubmed:month |
Dec
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pubmed:issn |
1367-4803
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pubmed:author | |
pubmed:issnType |
Print
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pubmed:volume |
16
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
1091-104
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pubmed:dateRevised |
2006-11-15
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pubmed:meshHeading |
pubmed-meshheading:11159328-Algorithms,
pubmed-meshheading:11159328-Computational Biology,
pubmed-meshheading:11159328-Computer Graphics,
pubmed-meshheading:11159328-Databases, Factual,
pubmed-meshheading:11159328-Models, Molecular,
pubmed-meshheading:11159328-Protein Structure, Tertiary,
pubmed-meshheading:11159328-Software
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pubmed:year |
2000
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pubmed:articleTitle |
Protein domain decomposition using a graph-theoretic approach.
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pubmed:affiliation |
Computational Biosciences Section, Life Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN 37830-6480, USA. xyn@ornl.gov
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pubmed:publicationType |
Journal Article,
Research Support, U.S. Gov't, Non-P.H.S.
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