reconstructing protein structure from solvent exposure using tabu search使用禁忌搜索重建蛋白质结构与溶剂接触.pdfVIP

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reconstructing protein structure from solvent exposure using tabu search使用禁忌搜索重建蛋白质结构与溶剂接触.pdf

reconstructing protein structure from solvent exposure using tabu search使用禁忌搜索重建蛋白质结构与溶剂接触

Algorithms for Molecular Biology BioMed Central Research Open Access Reconstructing protein structure from solvent exposure using tabu search 1 2 1 Martin Paluszewski* , Thomas Hamelryck and Pawel Winter Address: 1Department of Computer Science, University of Copenhagen, Universitetsparken 1, 2100 Copenhagen, Denmark and 2Bioinformatics Center, Institute of Molecular Biology, University of Copenhagen, Universitetsparken 15 building 10, 2100 Copenhagen, Denmark Email: Martin Paluszewski* - palu@diku.dk; Thomas Hamelryck - thamelry@binf.ku.dk; Pawel Winter - pawel@diku.dk * Corresponding author Published: 27 October 2006 Received: 30 March 2006 Accepted: 27 October 2006 Algorithms for Molecular Biology 2006, 1:20 doi:10.1186/1748-7188-1-20 This article is available from: /content/1/1/20 © 2006 Paluszewski et al; licensee BioMed Central Ltd. This is an Open Access article distributed under the terms of the Creative Commons Attribution License (/licenses/by/2.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. Abstract Background: A new, promising solvent exposure measure, called half-sphere-exposure (HSE), has recently been proposed. Here, we study the reconstruction of a proteins Cα trace solely from structure-derived HSE information. This problem is of relevance for de novo structure prediction using predicted HSE measure. For comparison, we also consider the well-established contact number (CN)

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