Source:http://linkedlifedata.com/resource/pubmed/id/17803214
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rdf:type | |
lifeskim:mentions | |
pubmed:issue |
4
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pubmed:dateCreated |
2007-11-27
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pubmed:abstractText |
In recent rounds of CAPRI, the Bii group has employed a combination of techniques for the prediction of the structure of protein-protein complexes. We currently use third-party software for rigid-body and semiflexible docking (MolFit, 3D-Dock, RosettaDock), and our own steered molecular dynamics (SMD) technique for flexible refinement. SMD has also been found to be useful for discriminating near-native from false positive docking decoys. In addition to this, a variety of sources of information, including multiple descriptors of interface quality combined with a QSAR-like technique, published biological information, and continuum electrostatics calculations, are also used in the assessment of candidate complexes. We shall concentrate on results for CAPRI rounds 9-11 (targets 24-27). In these rounds, the Bii group has been successful in submitting a medium quality model for each of CAPRI targets 25 and 26, and a model of acceptable quality for target 27.
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pubmed:language |
eng
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pubmed:journal | |
pubmed:citationSubset |
IM
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pubmed:chemical | |
pubmed:status |
MEDLINE
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pubmed:month |
Dec
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pubmed:issn |
1097-0134
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pubmed:author | |
pubmed:copyrightInfo |
(c) 2007 Wiley-Liss, Inc.
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pubmed:issnType |
Electronic
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pubmed:day |
1
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pubmed:volume |
69
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
816-22
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pubmed:meshHeading |
pubmed-meshheading:17803214-Algorithms,
pubmed-meshheading:17803214-Computational Biology,
pubmed-meshheading:17803214-Computer Simulation,
pubmed-meshheading:17803214-Crystallography, X-Ray,
pubmed-meshheading:17803214-Databases, Protein,
pubmed-meshheading:17803214-Genomics,
pubmed-meshheading:17803214-Molecular Conformation,
pubmed-meshheading:17803214-Protein Binding,
pubmed-meshheading:17803214-Protein Conformation,
pubmed-meshheading:17803214-Protein Interaction Mapping,
pubmed-meshheading:17803214-Proteins,
pubmed-meshheading:17803214-Proteomics,
pubmed-meshheading:17803214-Quantitative Structure-Activity Relationship,
pubmed-meshheading:17803214-Software,
pubmed-meshheading:17803214-Solvents
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pubmed:year |
2007
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pubmed:articleTitle |
Protein-protein docking: progress in CAPRI rounds 6-12 using a combination of methods: the introduction of steered solvated molecular dynamics.
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pubmed:affiliation |
Protein-Protein Interactions Group, Biosystems Informatics Institute, Marlborough House, Marlborough Crescent, Newcastle upon Tyne NE1 4EE, United Kingdom.
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pubmed:publicationType |
Journal Article
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