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- Publisher Website: 10.1002/jcc.21506
- Scopus: eid_2-s2.0-77954251377
- PMID: 20186860
- WOS: WOS:000279511200008
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Article: A gradient-directed Monte Carlo approach for protein design
Title | A gradient-directed Monte Carlo approach for protein design |
---|---|
Authors | |
Keywords | Discrete optimization GDMC Global optimization LCAP Protein sequence design RosettaDesign |
Issue Date | 2010 |
Publisher | John Wiley & Sons, Inc. The Journal's web site is located at http://www3.interscience.wiley.com/cgi-bin/jhome/33822 |
Citation | Journal Of Computational Chemistry, 2010, v. 31 n. 11, p. 2164-2168 How to Cite? |
Abstract | We 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. |
Persistent Identifier | http://hdl.handle.net/10722/168466 |
ISSN | 2023 Impact Factor: 3.4 2023 SCImago Journal Rankings: 0.738 |
ISI Accession Number ID | |
References |
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Hu, X | en_US |
dc.contributor.author | Hu, H | en_US |
dc.contributor.author | Beratan, DN | en_US |
dc.contributor.author | Yang, W | en_US |
dc.date.accessioned | 2012-10-08T03:19:18Z | - |
dc.date.available | 2012-10-08T03:19:18Z | - |
dc.date.issued | 2010 | en_US |
dc.identifier.citation | Journal Of Computational Chemistry, 2010, v. 31 n. 11, p. 2164-2168 | en_US |
dc.identifier.issn | 0192-8651 | en_US |
dc.identifier.uri | http://hdl.handle.net/10722/168466 | - |
dc.description.abstract | We 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. | en_US |
dc.language | eng | en_US |
dc.publisher | John Wiley & Sons, Inc. The Journal's web site is located at http://www3.interscience.wiley.com/cgi-bin/jhome/33822 | en_US |
dc.relation.ispartof | Journal of Computational Chemistry | en_US |
dc.subject | Discrete optimization | - |
dc.subject | GDMC | - |
dc.subject | Global optimization | - |
dc.subject | LCAP | - |
dc.subject | Protein sequence design | - |
dc.subject | RosettaDesign | - |
dc.subject.mesh | Amino Acids - Chemistry | en_US |
dc.subject.mesh | Computational Biology - Methods | en_US |
dc.subject.mesh | Drug Design | en_US |
dc.subject.mesh | Monte Carlo Method | en_US |
dc.subject.mesh | Protein Conformation | en_US |
dc.subject.mesh | Protein Folding | en_US |
dc.subject.mesh | Proteins - Chemistry | en_US |
dc.subject.mesh | Thermodynamics | en_US |
dc.title | A gradient-directed Monte Carlo approach for protein design | en_US |
dc.type | Article | en_US |
dc.identifier.email | Hu, H:haohu@hku.hk | en_US |
dc.identifier.authority | Hu, H=rp00707 | en_US |
dc.description.nature | link_to_subscribed_fulltext | en_US |
dc.identifier.doi | 10.1002/jcc.21506 | en_US |
dc.identifier.pmid | 20186860 | - |
dc.identifier.scopus | eid_2-s2.0-77954251377 | en_US |
dc.relation.references | http://www.scopus.com/mlt/select.url?eid=2-s2.0-77954251377&selection=ref&src=s&origin=recordpage | en_US |
dc.identifier.volume | 31 | en_US |
dc.identifier.issue | 11 | en_US |
dc.identifier.spage | 2164 | en_US |
dc.identifier.epage | 2168 | en_US |
dc.identifier.isi | WOS:000279511200008 | - |
dc.publisher.place | United States | en_US |
dc.identifier.scopusauthorid | Hu, X=36646175900 | en_US |
dc.identifier.scopusauthorid | Hu, H=7404097564 | en_US |
dc.identifier.scopusauthorid | Beratan, DN=7006677556 | en_US |
dc.identifier.scopusauthorid | Yang, W=7407757509 | en_US |
dc.identifier.citeulike | 7686232 | - |
dc.identifier.issnl | 0192-8651 | - |