The molecule problem: determining conformation from pairwise distances
The molecule problem: determining conformation from pairwise distances
Molecular conformations from distance matrices
Journal of Computational Chemistry
Global Continuation for Distance Geometry Problems
SIAM Journal on Optimization
Distance Geometry Optimization for Protein Structures
Journal of Global Optimization
Journal of Global Optimization
Virtual landmarks for the internet
Proceedings of the 3rd ACM SIGCOMM conference on Internet measurement
Extending the geometric build-up algorithm for the molecular distance geometry problem
Information Processing Letters
Double variable neighbourhood search with smoothing for the molecular distance geometry problem
Journal of Global Optimization
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
EuroGP'13 Proceedings of the 16th European conference on Genetic Programming
A discrete search algorithm for finding the structure of protein backbones and side chains
International Journal of Bioinformatics Research and Applications
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We describe a linear-time algorithm for solving the molecular distance geometry problem with exact distances between all pairs of atoms. This problem needs to be solved in every iteration of general distance geometry algorithms for protein modeling such as the EMBED algorithm by Crippen and Havel (Distance Geometry and Molecular Conformation, Wiley, 1988). However, previous approaches to the problem rely on decomposing an distance matrix or minimizing an error function and require O(n2) to O(3) floating point operations. The linear-time algorithm will provide a much more efficient approach to the problem, especially in large-scale applications. It exploits the problem structure and hence is able to identify infeasible data more easily as well.