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|Type:||Artigo de periódico|
|Title:||The discretizable distance geometry problem|
|Abstract:||We introduce the discretizable distance geometry problem in R-3 (DDGP(3)), which consists in a subclass of instances of the Distance Geometry Problem for which an embedding in R-3 can be found by means of a discrete search. We show that the DDGP(3) is a generalization of the discretizable molecular distance geometry problem (DMDGP), and we discuss the main differences between the two problems. We prove that the DDGP(3) is NP-hard and we extend the Branch & Prune (BP) algorithm, previously used for the DMDGP, for solving instances of the DDGP(3). Protein graphs may or may not be in DMDGP and/or DDGP3 depending on vertex orders and edge density. We show experimentally that as distance thresholds decrease, PDB protein graphs which fail to be in the DMDGP still belong to DDGP(3), which means that they can still be solved using a discrete search.|
Branch and prune
|Appears in Collections:||Artigos e Materiais de Revistas Científicas - Unicamp|
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