An exponential algorithm for the Discretizable Molecular Distance Geometry Problem is polynomial on proteins
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چکیده
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, and show empirically that they apply to proteins.
منابع مشابه
The discretizable molecular distance geometry problem is easier on proteins
Distance geometry methods are used to turn a set of interatomic distances given by NMR experiments into a consistent molecular conformation. In a set of papers (see the survey [8]) we proposed a Branch-and-Prune (BP) algorithm for computing the set X of all incongruent embeddings of a given protein backbone. Although BP has a worst-case exponential running time in general, we always noticed a l...
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تاریخ انتشار 2011