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| 041 |
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|a eng
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| 100 |
1 |
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|a Klepeis, J L
|e verfasserin
|4 aut
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| 245 |
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|a Prediction of beta-sheet topology and disulfide bridges in polypeptides
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| 264 |
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|c 2003
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| 336 |
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|a Text
|b txt
|2 rdacontent
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| 337 |
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|a ohne Hilfsmittel zu benutzen
|b n
|2 rdamedia
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| 338 |
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|a Band
|b nc
|2 rdacarrier
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| 500 |
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|a Date Completed 18.06.2003
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|a Date Revised 14.11.2007
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|a published: Print
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|a Citation Status MEDLINE
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| 520 |
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|a Copyright 2002 Wiley Periodicals, Inc.
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|a An ab initio method has been developed to predict beta architectures in polypeptides. The approach predicts the topology of beta-sheets and disulfide bridges through a novel superstructure-based mathematical framework originally established for chemical process synthesis problems. Two types of superstructure are introduced, both of which emanate from the principle that hydrophobic interactions drive the formation of a beta-structure. The mathematical formulation of the problem results in a set of integer linear programming (ILP) problems that can be solved to global optimality to identify the optimal beta-configuration. These (ILP) models can also predict a ranked ordered list of the best, second-best, third-best, etc., topologies of beta-sheets and disulfide bridges. The approach is shown to perform very well for several benchmark polypeptide systems, as well as polypeptides exhibiting challenging nonsequential beta-sheet topologies folds (56 to 187 amino acids)
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| 650 |
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|a Comparative Study
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| 650 |
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|a Journal Article
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| 650 |
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|a Research Support, U.S. Gov't, Non-P.H.S.
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| 650 |
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|a Research Support, U.S. Gov't, P.H.S.
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| 650 |
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|a Disulfides
|2 NLM
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| 700 |
1 |
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|a Floudas, C A
|e verfasserin
|4 aut
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|i Enthalten in
|t Journal of computational chemistry
|d 1984
|g 24(2003), 2 vom: 30. Jan., Seite 191-208
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|x 1096-987X
|7 nnns
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|g volume:24
|g year:2003
|g number:2
|g day:30
|g month:01
|g pages:191-208
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|d 24
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