Double variable neighbourhood search with smoothing for the molecular distance geometry problem

DOI10.1007/s10898-007-9218-1zbMath1169.90470WikidataQ62562202 ScholiaQ62562202MaRDI QIDQ1029680

Fabrizio Marinelli, Leo Liberti, Carlile C. Lavor, Nelson F. Maculan

Publication date: 13 July 2009

Published in: Journal of Global Optimization (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10898-007-9218-1

zbMATH Keywords

global optimization; smoothing; distance geometry; molecular conformation; variable neighbourhood search; global continuation

Mathematics Subject Classification ID

90C35: Programming involving graphs or networks

90B80: Discrete location and assignment

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Unnamed Item, Global optimization based on local searches, Global optimization based on local searches, A recipe for finding good solutions to MINLPs, Hyperbolic smoothing and penalty techniques applied to molecular structure determination, On the computation of protein backbones by using artificial backbones of hydrogens, The discretizable molecular distance geometry problem, Variable neighbourhood search: methods and applications, Variable neighbourhood search: Methods and applications, Recent advances on the interval distance geometry problem, Variable neighborhood search: basics and variants, The discretizable distance geometry problem, Recent advances on the discretizable molecular distance geometry problem, On convex relaxations of quadrilinear terms, A nonlinear multidimensional knapsack problem in the optimal design of mixture experiments, Distance Geometry on the Sphere, Molecular distance geometry methods: from continuous to discrete

Uses Software

• SNOPT

Cites Work

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• A linear-time algorithm for solving the molecular distance geometry problem with exact inter-atomic distances
• Global optimization. From theory to implementation.
• Distance geometry optimization for protein structures
• A continuous variable neighborhood search heuristic for finding the three-dimensional structure of a molecule
• Molecular Modeling of Proteins and Mathematical Prediction of Protein Structure
• Global Continuation for Distance Geometry Problems
• Computational Experience with the Molecular Distance Geometry Problem