%0 Conference Paper
%B 5th International Meeting on Computacional Intelligence Methods for Bioinformatics and Biostatistics - CIBB
%D 2008
%T Spatial Clustering of Molecular Dynamics Trajectories in Protein Unfolding Simulations
%A Pedro Ferreira
%A Cândida Silva
%A Paulo Jorge Azevedo
%A Rui Brito
%C Vietri sul Mare, Salerno, Italy
%X <p>Molecular dynamics simulations is a valuable tool to study protein unfolding in silico. Analyzing the relative spatial position of the residues during the simulation may indicate which residues are essential in determining the protein structure. We present a method, inspired by a popular data mining technique called Frequent Itemset Mining, that clusters sets of amino acid residues with a synchronized trajectory during the unfolding process. The proposed approach has several advantages over traditional hierarchical clustering.</p>
%8 September
%> https://haslab.uminho.pt/sites/default/files/pja/files/spatialclustering.pdf