The discretizable molecular distance geometry problem

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The discretizable molecular distance geometry problem

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 → R 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). W...

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ژورنال

عنوان ژورنال: Computational Optimization and Applications

سال: 2011

ISSN: 0926-6003,1573-2894

DOI: 10.1007/s10589-011-9402-6