A Branch-and-Prune algorithm for the Molecular Distance Geometry Problem
نویسندگان
چکیده
منابع مشابه
A note on "A branch-and-prune algorithm for the molecular distance geometry problem"
The Molecular Distance Geometry Problem consists in finding the positions in R of the atoms of a molecule, given some of the inter-atomic distances. We show that under an additional requirement on the given distances (which is realistic from the chemical point of view) this can be transformed to a combinatorial problem. We propose a Branch-and-Prune algorithm for the solution of this problem an...
متن کاملA Branch-and-Prune Algorithm for the Molecular Distance Geometry Problem
The Molecular Distance Geometry Problem consists in finding the positions in R of the atoms of a molecule, given some of the inter-atomic distances. We show that under an additional requirement on the given distances (which is realistic from the chemical point of view) this can be transformed to a combinatorial problem. We propose a Branch-and-Prune algorithm for the solution of this problem an...
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The Distance Geometry Problem in three dimensions consists in finding an embedding in R of a given nonnegatively weighted simple undirected graph such that edge weights are equal to the corresponding Euclidean distances in the embedding. This is a continuous search problem that can be discretized under some assumptions on the minimum degree of the vertices. In this paper we discuss the case whe...
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The Discretizable Molecular Distance Geometry Problem (DMDGP) consists in a subclass of distance geometry instances (related to molecules) that can be solved by combinatorial optimization. A modified version of the Branch and Prune (BP) algorithm, previously proposed for solving these instances, is presented, where it is supposed that exact distances are not known, but rather intervals where th...
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ژورنال
عنوان ژورنال: International Transactions in Operational Research
سال: 2008
ISSN: 0969-6016
DOI: 10.1111/j.1475-3995.2007.00622.x