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Article: A gradient-directed Monte Carlo approach for protein design
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TitleA gradient-directed Monte Carlo approach for protein design
 
AuthorsHu, X1
Hu, H1
Beratan, DN1
Yang, W1
 
Issue Date2010
 
PublisherJohn Wiley & Sons, Inc. The Journal's web site is located at http://www3.interscience.wiley.com/cgi-bin/jhome/33822
 
CitationJournal Of Computational Chemistry, 2010, v. 31 n. 11, p. 2164-2168 [How to Cite?]
DOI: http://dx.doi.org/10.1002/jcc.21506
 
AbstractWe develop a new global optimization strategy, gradient-directed Monte Carlo (GDMC) sampling, to optimize protein sequence for a target structure using RosettaDesign. GDMC significantly improves the sampling of sequence space, compared to the classical Monte Carlo search protocol, for a fixed backbone conformation as well as for the simultaneous optimization of sequence and structure. As such, GDMC sampling enhances the efficiency of protein design. © 2010 Wiley Periodicals, Inc.
 
ISSN0192-8651
2013 Impact Factor: 3.601
 
DOIhttp://dx.doi.org/10.1002/jcc.21506
 
ReferencesReferences in Scopus
 
DC FieldValue
dc.contributor.authorHu, X
 
dc.contributor.authorHu, H
 
dc.contributor.authorBeratan, DN
 
dc.contributor.authorYang, W
 
dc.date.accessioned2012-10-08T03:19:18Z
 
dc.date.available2012-10-08T03:19:18Z
 
dc.date.issued2010
 
dc.description.abstractWe develop a new global optimization strategy, gradient-directed Monte Carlo (GDMC) sampling, to optimize protein sequence for a target structure using RosettaDesign. GDMC significantly improves the sampling of sequence space, compared to the classical Monte Carlo search protocol, for a fixed backbone conformation as well as for the simultaneous optimization of sequence and structure. As such, GDMC sampling enhances the efficiency of protein design. © 2010 Wiley Periodicals, Inc.
 
dc.description.natureLink_to_subscribed_fulltext
 
dc.identifier.citationJournal Of Computational Chemistry, 2010, v. 31 n. 11, p. 2164-2168 [How to Cite?]
DOI: http://dx.doi.org/10.1002/jcc.21506
 
dc.identifier.citeulike7686232
 
dc.identifier.doihttp://dx.doi.org/10.1002/jcc.21506
 
dc.identifier.epage2168
 
dc.identifier.issn0192-8651
2013 Impact Factor: 3.601
 
dc.identifier.issue11
 
dc.identifier.pmid20186860
 
dc.identifier.scopuseid_2-s2.0-77954251377
 
dc.identifier.spage2164
 
dc.identifier.urihttp://hdl.handle.net/10722/168466
 
dc.identifier.volume31
 
dc.languageeng
 
dc.publisherJohn Wiley & Sons, Inc. The Journal's web site is located at http://www3.interscience.wiley.com/cgi-bin/jhome/33822
 
dc.publisher.placeUnited States
 
dc.relation.ispartofJournal of Computational Chemistry
 
dc.relation.referencesReferences in Scopus
 
dc.subject.meshAmino Acids - Chemistry
 
dc.subject.meshComputational Biology - Methods
 
dc.subject.meshDrug Design
 
dc.subject.meshMonte Carlo Method
 
dc.subject.meshProtein Conformation
 
dc.subject.meshProtein Folding
 
dc.subject.meshProteins - Chemistry
 
dc.subject.meshThermodynamics
 
dc.titleA gradient-directed Monte Carlo approach for protein design
 
dc.typeArticle
 
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Author Affiliations
  1. Duke University