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Mathematical optimization / Combinatorial optimization / Protein structure / Self-consistent mean field / Dead-end elimination / Conformational isomerism / Dynamic programming / Protein structure prediction / Linear programming relaxation / Chemistry / Protein methods / Mathematics


Rotamer Optimization for Protein Design through MAP Estimation and Problem-Size Reduction EUN-JONG HONG,1,2 SHAUN M. LIPPOW,1,3∗ BRUCE TIDOR,1,2,4 TOMÁS LOZANO-PÉREZ1,2 1 Computer Science and Artificial Intelligence
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Document Date: 2012-06-11 20:16:30


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City

Cambridge / /

Company

Artificial Intelligence Laboratory / Codon Devices Inc. / Wiley Periodicals Inc. / Wiley InterScience / /

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Facility

One Kendall Square / Massachusetts Institute of Technology / /

IndustryTerm

minimum conformation energy / minimum energy / sparse search / singleton interaction energy / minimum conformational energy / iterative algorithm / excellent lower-bounding tool / lower-bounding tool / minimum energy conformation / energy comparison / tree-reweighted belief propagation algorithm / interaction energy / tree search problem / tree-reweighted max-product algorithm / max-product algorithm / systematic search method / energy functions / integral solution / lower conformational energy / energy / deterministic algorithms / ordinary maxproduct algorithm / dead-end elimination algorithm / energy function / systematic search / self-energy / search trees / tree-reweighted maxproduct algorithm / search scheme / depth-first search / genetic algorithms / low-energy placements / heuristic search algorithm46 / energy corresponding / search tree / side chains / tree-decomposition algorithm / search space / post-processing time / energy terms / /

Organization

Massachusetts Institute of Technology / Department of Electrical Engineering and Computer Science / Department of Chemical Engineering / Department of Biological Engineering / Department of Electrical Engineering / /

Person

EUN-JONG HONG / Gordon / Max-Marginals Instead / Mayo / /

Product

BnB / /

ProvinceOrState

Massachusetts / /

PublishedMedium

Journal of Computational Chemistry / /

Technology

tree-reweighted belief propagation algorithm / even deterministic algorithms / tree-decomposition algorithm / Computational Chemistry / dead-end elimination algorithm / ordinary maxproduct algorithm / max-product algorithm / design protocol / iterative algorithm / tree-reweighted max-product algorithm / tree-reweighted maxproduct algorithm / /

URL

www.interscience.wiley.com / /

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