Issue February 2006

category image Volume 23
No. 4 (p 357-484)
February 2006
ISSN 0739-110

Data Mining of Molecular Dynamics Trajectories of Nucleic Acids (p. 447-456)

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.

Agnes Noy1,a
Tim Meyer1,a
Manuel Rueda1
Carles Ferrer1
Antonio Valencia1
Alberto Perez1
Xavier de la Cruz1,2
J. M. Lopez-Bes3
R. Pouplana3
J. Fernandez-Recio1
F. Javier Luque3
Modesto Orozco1,4,*

1Institut de Recerca Biomedica Barcelona
Parc Cientific de Barcelona
Josep Samitier 1-5, Barcelona E-08028. Spain
Departament de Bioquimica i Biologia Molecular
Facultat de Quimica, Universitat de Barcelona
Marti i Franques 1, Barcelona E-08028. Spain
2Institucio Catalana per la Recerca i Estudis Avancats (ICREA), Passeig Lluis Companys
23, 08018 Barcelona, Spain
3Departament de Farmacia
Unitat Fisicoquimica
Universitat de Barcelona, Avgda Diagonal 643
Barcelona E-08028. Spain.
4Computational Biology Program
Barcelona Suporcomputing Center
Jordi Girona 31, Edifici Torre Girona
Barcelona 08028. Spain.
*modesto@mmb.pcb.ub.es

aA.N and T.M contribute equally to this work.

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