Large-Scale Optimization with Applications
Part III: Molecular Structure and Optimization
by Lorenz T. Biegler
Many important molecular conformation problems, such as protein folding, are expressed as global minimization problems. It is the fact that local minimization is insufficient, that markedly differentiates this volume from the previous two. Unfortunately, global minimization problems that result from models of molecular conformation are usually intractable. For example, simple 1-dimensional versions of distance conformation problems are NP-hard. Nevertheless, there has been significant recent progress in the design of promising heuristic strategies (often involving the use of high- performance parallel computers) for computing approximate global minimizers. The purpose of the sessions represented in this volume was to discuss the new algorithmic advances for global minimization in the context of protein folding and related molecular minimization problems. Emphasis was on practical shortcomings of current approaches, outstanding problems and questions, and the use of high-performance parallel computers.
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Mathematics, Numerical analysis, Mathematical optimization, Operations research, Systems theory, Molecular structure, Engineering design, Inverse problems (differential equations), Programming (mathematics), System theory, Calculus of Variations and Optimal Control; Optimization, Control Systems Theory, Operation Research/Decision Theory| Edition | Availability |
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Large-Scale Optimization with Applications: Part III: Molecular Structure and Optimization
1997, Springer New York
electronic resource :
in English
1461268702 9781461268703
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