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231224s2014 xx |||||o 00| ||eng c |
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|a 10.1002/jcc.23543
|2 doi
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|a pubmed25n0784.xml
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|a eng
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|a Maurice, Kevin J
|e verfasserin
|4 aut
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|a SSThread
|b Template-free protein structure prediction by threading pairs of contacting secondary structures followed by assembly of overlapping pairs
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|c 2014
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|a Text
|b txt
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|a ƒaComputermedien
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|a ƒa Online-Ressource
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|a Date Completed 04.10.2014
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|a Date Revised 18.02.2014
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|a published: Print-Electronic
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|a Citation Status MEDLINE
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|a Copyright © 2014 Wiley Periodicals, Inc.
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|a Acquiring the three-dimensional structure of a protein from its amino acid sequence alone, despite a great deal of work and significant progress on the subject, is still an unsolved problem. SSThread, a new template-free algorithm is described here that consists of making several predictions of contacting pairs of α-helices and β-strands derived from a database of experimental structures using a knowledge-based potential, secondary structure prediction, and contact map prediction followed by assembly of overlapping pair predictions to create an ensemble of core structure predictions whose loops are then predicted. In a set of seven CASP10 targets SSThread outperformed the two leading methods for two targets each. The targets were all β-strand containing structures and most of them have a high relative contact order which demonstrates the advantages of SSThread. The primary bottlenecks based on sets of 74 and 21 test cases are the pair prediction and loop prediction stages
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|a Journal Article
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|a ab initio protein structure prediction
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|a contact map prediction
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| 650 |
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|a knowledge-based potential
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| 650 |
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|a loop closure
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| 650 |
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|a secondary structure prediction
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| 650 |
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|a Proteins
|2 NLM
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| 650 |
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|a Caspase 10
|2 NLM
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|i Enthalten in
|t Journal of computational chemistry
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|g 35(2014), 8 vom: 30. März, Seite 644-56
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|x 1096-987X
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|g volume:35
|g year:2014
|g number:8
|g day:30
|g month:03
|g pages:644-56
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|u http://dx.doi.org/10.1002/jcc.23543
|3 Volltext
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