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Tuyển tập các báo cáo nghiên cứu về sinh học được đăng trên tạp chí y học Molecular Biology cung cấp cho các bạn kiến thức về ngành sinh học đề tài: A spatio-temporal mining approach towards summarizing and analyzing protein folding trajectories. | Algorithms for Molecular Biology BioMed Central Research Open Access A spatio-temporal mining approach towards summarizing and analyzing protein folding trajectories Hui Yang 1 Srinivasan Parthasarathy2 and Duygu Ucar2 Address Department of Computer Science San Francisco State University 1600 Holloway Avenue San Francisco California USA and 2Department of Computer Science and Engineering Ohio State University 2015 Neil Avenue Columbus Ohio USA Email Hui Yang - huiyang@sfsu.edu Srinivasan Parthasarathy - srini@cse.ohio-state.edu Duygu Ucar - ucar@cse.ohio-state.edu Corresponding author Published 4 April 2007 Received 4 August 2006 Algorithms for Molecular Biology 2007 2 3 doi l0.ll86 l748-7l88-2-3 Accepted 4 April 2007 This article is available from http www.almob.Org content 2 1 3 2007 Yang et al licensee BioMed Central Ltd. This is an Open Access article distributed under the terms of the Creative Commons Attribution License http creativecommons.org licenses by 2.0 which permits unrestricted use distribution and reproduction in any medium provided the original work is properly cited. Abstract Understanding the protein folding mechanism remains a grand challenge in structural biology. In the past several years computational theories in molecular dynamics have been employed to shed light on the folding process. Coupled with high computing power and large scale storage researchers now can computationally simulate the protein folding process in atomistic details at femtosecond temporal resolution. Such simulation often produces a large number of folding trajectories each consisting of a series of 3D conformations of the protein under study. As a result effectively managing and analyzing such trajectories is becoming increasingly important. In this article we present a spatio-temporal mining approach to analyze protein folding trajectories. It exploits the simplicity of contact maps while also integrating 3D structural information in the analysis. It characterizes the
