| Optimization techniques in molecular structure and function elucidation. | |
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MedLine Citation:
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PMID: 20160866 Owner: NLM Status: Publisher |
Abstract/OtherAbstract:
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This paper discusses recent optimization approaches to the protein side-chain prediction problem, protein structural alignment, and molecular structure determination from X-ray diffraction measurements. The machinery employed to solve these problems has included algorithms from linear programming, dynamic programming, combinatorial optimization, and mixed-integer nonlinear programming. Many of these problems are purely continuous in nature. Yet, to this date, they have been approached mostly via combinatorial optimization algorithms that are applied to discrete approximations. The main purpose of the paper is to offer an introduction and motivate further systems approaches to these problems. |
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Authors:
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Nikolaos V Sahinidis |
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Publication Detail:
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Type: JOURNAL ARTICLE |
Journal Detail:
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Title: Computers & chemical engineering Volume: 33 ISSN: 1873-4375 ISO Abbreviation: - Publication Date: 2009 Dec |
Date Detail:
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Created Date: 2010-7-13 Completed Date: - Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 101515574 Medline TA: Comput Chem Eng Country: - |
Other Details:
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Languages: ENG Pagination: 2055-2062 Citation Subset: - |
Affiliation:
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Department of Chemical Engineering Carnegie Mellon University, Pittsburgh, PA 15213, USA. |
Export Citation:
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| MeSH Terms | |
Descriptor/Qualifier:
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| Grant Support | |
ID/Acronym/Agency:
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R01 GM072023-05//NIGMS NIH HHS |
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