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Beta-complex 1 BetaSCP 1 Combinatorial optimization 1 Heuristic 1 Integer linear programming 1 Optimal 1 Protein design 1 Protein structure optimization 1 Quasi-triangulation 1 RASP 1 Rotamer 1 SCWRL 1 Voronoi diagram 1 binary quadratic programming 1 computational biology 1 contact map overlap 1 doubly non-negative relaxation 1 integer programming 1 protein folding 1 protein similarity 1 rotamer assignment 1 semidefinite programming 1
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Undetermined 2
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Article 2
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Undetermined 2
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ENGAU, ALEXANDER 1 Kim, Deok-Soo 1 Ryu, Joonghyun 1
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Asia-Pacific Journal of Operational Research (APJOR) 1 Journal of Global Optimization 1
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RePEc 2
Showing 1 - 2 of 2
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SOME EXPERIENCES WITH SOLVING SEMIDEFINITE PROGRAMMING RELAXATIONS OF BINARY QUADRATIC OPTIMIZATION MODELS IN COMPUTATIONAL BIOLOGY
ENGAU, ALEXANDER - In: Asia-Pacific Journal of Operational Research (APJOR) 31 (2014) 04, pp. 1450022-1
We present two recent integer programming models in molecular biology and study practical reformulations to compute solutions to some of these problems. In extension of previously tested linearization techniques, we formulate corresponding semidefinite relaxations and discuss practical rounding...
Persistent link: https://www.econbiz.de/10010888468
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Cover Image
Protein structure optimization by side-chain positioning via beta-complex
Ryu, Joonghyun; Kim, Deok-Soo - In: Journal of Global Optimization 57 (2013) 1, pp. 217-250
backbone and a rotamer library, attempts to optimally assign a rotamer to each residue so that the potential energy of protein …
Persistent link: https://www.econbiz.de/10010896356
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