Data mining of molecular dynamics trajectories of nucleic acids.
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.
Noy
Agnes
A
Institut de Recerca Biomedica Barcelona, Parc Cientific de Barcelona, Josep Samitier 1-5, Barcelona E-08028. Spain. modesto@mmb.pcb.ub.es.
Meyer
Tim
T
Rueda
Manuel
M
Ferrer
Carles
C
Valencia
Antonion
A
Pérez
Alberto
A
de la Cruz
Xavier
X
López-Bes
J M
JM
Pouplana
R
R
Fernandez-Recio
J
J
Luque
F Javier
FJ
Orozco
Modesto
M
D003198:Computer Simulation; D004247:DNA / Q000737:chemistry; D003627:Data Interpretation, Statistical; D030561:Databases, Nucleic Acid; D016247:Information Storage and Retrieval; D008958:Models, Molecular; D009690:Nucleic Acid Conformation; D009696:Nucleic Acids / Q000737:chemistry*; D013816:Thermodynamics
D009696:Nucleic Acids; D004247:DNA