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Type: Artigo de periódico
Title: Molecular distance geometry methods: from continuous to discrete
Author: Liberti, L
Lavor, C
Mucherino, A
Maculan, N
Abstract: Distance geometry problems (DGP) arise from the need to position entities in the Euclidean K-space given some of their respective distances. Entities may be atoms (molecular distance geometry), wireless sensors (sensor network localization), or abstract vertices of a graph (graph drawing). In the context of molecular distance geometry, the distances are usually known because of chemical properties and nuclear magnetic resonance experiments; sensor networks can estimate their relative distance by recording the power loss during a two-way exchange; finally, when drawing graphs in two or three dimensions, the graph to be drawn is given, and therefore distances between vertices can be computed. DGPs involve a search in a continuous Euclidean space, but sometimes the problem structure helps reduce the search to a discrete set of points. In this paper we survey some continuous and discrete methods for solving some problems of molecular distance geometry.
Subject: distance geometry
protein conformation
Country: EUA
Editor: Wiley-blackwell
Rights: fechado
Identifier DOI: 10.1111/j.1475-3995.2009.00757.x
Date Issue: 2011
Appears in Collections:Unicamp - Artigos e Outros Documentos

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