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arxiv: 1103.1264 · v1 · pith:KPHTAUXTnew · submitted 2011-03-07 · 💻 cs.CG · cs.CE· cs.DS· q-bio.QM

Polynomial cases of the Discretizable Molecular Distance Geometry Problem

classification 💻 cs.CG cs.CEcs.DSq-bio.QM
keywords searchcorrespondingdistanceembeddingseuclideangeometrygraphpolynomial
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An important application of distance geometry to biochemistry studies the embeddings of the vertices of a weighted graph in the three-dimensional Euclidean space such that the edge weights are equal to the Euclidean distances between corresponding point pairs. When the graph represents the backbone of a protein, one can exploit the natural vertex order to show that the search space for feasible embeddings is discrete. The corresponding decision problem can be solved using a binary tree based search procedure which is exponential in the worst case. We discuss assumptions that bound the search tree width to a polynomial size.

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