Molecular conformations from distance matrices
Journal of Computational Chemistry
Solving Euclidean Distance Matrix Completion Problems Via Semidefinite Programming
Computational Optimization and Applications - Special issue on computational optimization—a tribute to Olvi Mangasarian, part I
A D. C. Optimization Algorithm for Solving the Trust-Region Subproblem
SIAM Journal on Optimization
Global Continuation for Distance Geometry Problems
SIAM Journal on Optimization
A Stochastic/Perturbation Global Optimization Algorithm for Distance Geometry Problems
Journal of Global Optimization
Distance Geometry Optimization for Protein Structures
Journal of Global Optimization
Large-Scale Molecular Optimization from Distance Matrices by a D. C. Optimization Approach
SIAM Journal on Optimization
Extending the geometric build-up algorithm for the molecular distance geometry problem
Information Processing Letters
The discretizable molecular distance geometry problem
Computational Optimization and Applications
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We study a continuation approach via the Gaussian transform and D.C. programming for solving both exact and general distance geometry problems. This approach relies on a new formulation of the problems and their Gaussian transforms which are both smooth D.C. (difference of convex functions) programs. A D.C. optimization algorithm is investigated for solving the transformed problems. Numerical experiments on the data derived from PDB data bank up to 4189 atoms show the usefulness of the reformulation, the globality of sought solutions, the robustness and the efficiency of the proposed approach.