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Predicate | Object |
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rdf:type | |
lifeskim:mentions | |
pubmed:issue |
7
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pubmed:dateCreated |
1993-2-5
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pubmed:abstractText |
A general approach is developed to search for stable structures of short chain fragments (e.g. of loops or bound oligopeptides) in a given molecular field. This molecular field is produced by the remaining part of a globule or by any other surface with a defined spatial structure. The fragment must be short enough to have no pronounced long-range interactions within itself. The method is illustrated by calculation of the 3-D structures of two loops of bovine pancreatic trypsin inhibitor (BPTI). Computations are based on a lattice model of conformational space and on strict and fast algorithms of 1-D statistical mechanics and dynamic programming (which are very similar in essence). This makes a search of oligopeptide structures only several times (and not several orders of magnitude) longer than that of a dipeptide.
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pubmed:language |
eng
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pubmed:journal | |
pubmed:citationSubset |
IM
|
pubmed:chemical | |
pubmed:status |
MEDLINE
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pubmed:month |
Oct
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pubmed:issn |
0269-2139
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pubmed:author | |
pubmed:issnType |
Print
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pubmed:volume |
5
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
617-24
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pubmed:dateRevised |
2006-11-15
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pubmed:meshHeading |
pubmed-meshheading:1282717-Algorithms,
pubmed-meshheading:1282717-Aprotinin,
pubmed-meshheading:1282717-Mathematical Computing,
pubmed-meshheading:1282717-Models, Chemical,
pubmed-meshheading:1282717-Models, Molecular,
pubmed-meshheading:1282717-Peptide Fragments,
pubmed-meshheading:1282717-Protein Folding,
pubmed-meshheading:1282717-Software
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pubmed:year |
1992
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pubmed:articleTitle |
Search for the stable state of a short chain in a molecular field.
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pubmed:affiliation |
Institute of Protein Research, Russian Academy of Sciences, Pushchino, Moscow region.
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pubmed:publicationType |
Journal Article,
Research Support, Non-U.S. Gov't
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