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Type: Artigo de periódico
Title: Hyperbolic smoothing and penalty techniques applied to molecular structure determination
Author: Souza, M
Xavier, AE
Lavor, C
Maculan, N
Abstract: This work considers the problem of estimating the relative positions of all atoms of a protein, given a subset of all the pair-wise distances between the atoms. This problem is NI-hard, and the usual formulations are nonsmoothed and nonconvex, having a high number of local minima. Our contribution is an efficient method that combines the hyperbolic smoothing and the penalty techniques that are useful in obtaining differentiability and reducing the number of local minima. (C) 2011 Elsevier B V. All rights reserved.
Subject: Protein structure
NMR experiments
Global optimization
Smoothing techniques
Molecular distance geometry problem
Country: Holanda
Editor: Elsevier Science Bv
Rights: fechado
Identifier DOI: 10.1016/j.orl.2011.07.007
Date Issue: 2011
Appears in Collections:Unicamp - Artigos e Outros Documentos

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