Data mining of molecular dynamics trajectories of nucleic acids.

TitleData mining of molecular dynamics trajectories of nucleic acids.
Publication TypeJournal Article
Year of Publication2006
AuthorsNoy, Agnes, Meyer Tim, Rueda Manuel, Ferrer Carles, Valencia Antonion, Pérez Alberto, de la Cruz Xavier, López-Bes J M., Pouplana R, Fernandez-Recio J, F Luque Javier, and Orozco Modesto
JournalJ Biomol Struct Dyn
Date Published2006 Feb
KeywordsComputer Simulation, Data Interpretation, Databases, DNA, Information Storage and Retrieval, Models, Molecular, Nucleic Acid, Nucleic Acid Conformation, Nucleic Acids, Statistical, Thermodynamics

Analysis, 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.