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Data mining of molecular dynamics trajectories of nucleic acids

Posted June 8th, 2010 by pschmidtke
TitleData mining of molecular dynamics trajectories of nucleic acids
Publication TypeJournal Article
Year of Publication2006
AuthorsNoy, A, Meyer T, Rueda M, Ferrer C, Valencia A, Perez A, de la Cruz X, Lopez-Bes JM, Pouplana R, Fernandez-Recio J, Luque FJ, Orozco M
JournalJournal of Biomolecular Structure & Dynamics
Volume23
Issue4
Pagination447 - 456
Date Published2006/02//
KeywordsComputer Simulation; DNA/chemistry; Data Interpretation, Molecular; Nucleic Acid Conformation; Nucleic Acids/chemistry; Thermodynamics, Nucleic Acid; Information Storage and Retrieval; Models, Statistical; Databases
AbstractAnalysis, storage, and transfer of molecular dynamic trajectories are becoming the bottleneck of computer simulations. In this paper we discuss different approaches for data mining and data processing of huge trajectory files generated from molecular dynamic simulations of nucleic acids.