The molecule problem: determining conformation from pairwise distances
The molecule problem: determining conformation from pairwise distances
Global Continuation for Distance Geometry Problems
SIAM Journal on Optimization
Global Optima of Lennard-Jones Clusters
Journal of Global Optimization
Distance Geometry Optimization for Protein Structures
Journal of Global Optimization
Global Optimization on Funneling Landscapes
Journal of Global Optimization
Journal of Global Optimization
Efficient Algorithms for Large Scale Global Optimization: Lennard-Jones Clusters
Computational Optimization and Applications
On the multilevel structure of global optimization problems
Computational Optimization and Applications
A Population-based Approach for Hard Global Optimization Problems based on Dissimilarity Measures
Mathematical Programming: Series A and B
Global Optimization of Morse Clusters by Potential Energy Transformations
INFORMS Journal on Computing
An experimental analysis of a population based approach for global optimization
Computational Optimization and Applications
On the computation of protein backbones by using artificial backbones of hydrogens
Journal of Global Optimization
The discretizable molecular distance geometry problem
Computational Optimization and Applications
A nested heuristic for parameter tuning in Support Vector Machines
Computers and Operations Research
Space pruning monotonic search for the non-unique probe selection problem
International Journal of Bioinformatics Research and Applications
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In this paper we consider global optimization algorithms based on multiple local searches for the Molecular Distance Geometry Problem (MDGP). Three distinct approaches (Multistart, Monotonic Basin Hopping, Population Basin Hopping) are presented and for each of them a computational analysis is performed. The results are also compared with those of two other approaches in the literature, the DGSOL approach (Moré, Wu in J. Glob. Optim. 15:219---234, 1999) and a SDP based approach (Biswas et al. in An SDP based approach for anchor-free 3D graph realization, Technical Report, Operations Research, Stanford University, 2005).