Challenges of continuous global optimization in molecular structure prediction

DOI10.1016/J.EJOR.2005.08.033zbMATH Open1123.90084OpenAlexW2104739950MaRDI QIDQ877606FDOQ877606

Authors: Gleb Beliakov, Kieran F. Lim 

Publication date: 3 May 2007

Published in: European Journal of Operational Research (Search for Journal in Brave)

Full work available at URL: http://hdl.handle.net/10536/DRO/DU:30007158

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zbMATH Keywords

global optimizationnonlinear programmingbranch and boundcomputational chemistrymolecular conformation

Mathematics Subject Classification ID

Polyhedral combinatorics, branch-and-bound, branch-and-cut (90C57) Applications of mathematical programming (90C90) Nonconvex programming, global optimization (90C26) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Cites Work

• Global optimization with non-convex constraints. Sequential and parallel algorithms
• Global optimization in action. Continuous and Lipschitz optimization: algorithms, implementations and applications
• Handbook of global optimization
• Voronoi diagrams in higher dimensions under certain polyhedral distance functions
• Abstract convexity and global optimization
• Deterministic global optimization. Theory, methods and applications
• Introduction to global optimization.
• Molecular Modeling of Proteins and Mathematical Prediction of Protein Structure
• An algorithm for finding the absolute extremum of a function
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• A Sequential Method Seeking the Global Maximum of a Function
• Cutting angle methods in global optimization
• Fast algorithm for the cutting angle method of global optimization
• Geometry and combinatorics of the cutting angle method
• Extended cutting angle method of global optimization
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• Optimization in computational chemistry and molecular biology. Local and global approaches. Conference, Princeton Univ., Princeton, NJ, USA, May 7--9, 1999
• Cutting angle method – a tool for constrained global optimization
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Cited In (4)

• Title not available (Why is that?)
• Global optimization for molecular conformation problems
• A novel differential evolution algorithm using local abstract convex underestimate strategy for global optimization
• Implementation of novel methods of global and nonsmooth optimization: GANSO programming library

Uses Software

• Global Optimization Toolbox For Maple
• LGO

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