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Dead-end elimination / Mathematical optimization / Bioinformatics / Stereochemistry / Conformational isomerism / Protein design / Resolution / STING / Homology modeling / Chemistry / Protein methods / Protein structure


Exact Rotamer Optimization for Protein Design D. BENJAMIN GORDON,1 GEOFFREY K. HOM,2 STEPHEN L. MAYO,3 NILES A. PIERCE4 1 Whitehead Institute for Biomedical Research, Cambridge, MassachusettsBiochemistry Option, C
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Document Date: 2010-09-08 02:56:26


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City

Cambridge / Pasadena / /

Company

IBM / Wiley Periodicals Inc. / /

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Facility

Howard Hughes Medical Institute / Whitehead Institute / California Institute of Technology / /

IndustryTerm

by-product / search paradigms / polynomial-time algorithms / valid reference energy / self-energy / Approximate algorithms / exponential-time algorithms / approximate search / energy proļ¬les / rotamer internal strain energy / combinatorial optimization algorithms / conformational energy / tree-based algorithms / approximate search algorithms / lower energy bound / hybrid algorithm / energy bounds / minimum energy conformation / interaction energy / lower energy / search speed / apparent search algorithm performance / reference energy / search space / dead-end elimination algorithms / search algorithm performance / net energy contributions / energy terms / search algorithms / energy / energy expression / /

Organization

Department of Applied and Computational Mathematics / California Institute of Technology / Division of Biology / Burroughs-Wellcome Foundation / GMEC / G. and Arthur McCallum Foundation / Howard Hughes Medical Institute / Whitehead Institute for Biomedical Research / /

Person

D. BENJAMIN GORDON / /

ProvinceOrState

California / Massachusetts / /

PublishedMedium

Journal of Computational Chemistry / /

Technology

alpha / combinatorial optimization algorithms / 16 Processors / exponential-time algorithms / dead-end elimination algorithms / DEE algorithms / search algorithms / polynomial-time algorithms / dielectric / Computational Chemistry / Conclusion Existing DEE algorithms / approximate search algorithms / tree-based algorithms / previous dead-end elimination algorithms / computer algorithms / DEE algorithm / /

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