The discretizable molecular distance geometry problem

@article{Lavor2012TheDM,
  title={The discretizable molecular distance geometry problem},
  author={C. Lavor and Leo Liberti and N. Maculan and A. Mucherino},
  journal={Computational Optimization and Applications},
  year={2012},
  volume={52},
  pages={115-146}
}
Given a simple weighted undirected graph G=(V,E,d) with d:E→ℝ+, the Molecular Distance Geometry Problem (MDGP) consists in finding an embedding x:V→ℝ3 such that ‖xu−xv‖=duv for each {u,v}∈E. We show that under a few assumptions usually satisfied in proteins, the MDGP can be formulated as a search in a discrete space. We call this MDGP subclass the Discretizable MDGP (DMDGP). We show that the DMDGP is NP-hard and we propose a solution algorithm called Branch-and-Prune (BP). The BP algorithm… Expand
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