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Cell-Dock: high-performance protein-protein docking

Autor
Pons, C.; Jimenez, D.; González, C.; Servat, H.; Cabrera, D.; Aguilar, X.; Fernández, J.
Tipus d'activitat
Article en revista
Revista
Bioinformatics
Data de publicació
2012-09
Volum
28
Número
18
Pàgina inicial
2394
Pàgina final
2396
DOI
https://doi.org/10.1093/bioinformatics/bts454 Obrir en finestra nova
Resum
The application of docking to large-scale experiments or the explicit treatment of protein flexibility are part of the new challenges in structural bioinformatics that will require large computer resources and more efficient algorithms. Highly optimized FFT approaches are broadly used in docking programs but their optimal code implementation leaves hardware acceleration as the only option to significantly reduce the computational cost of these tools. In this work we present Cell-Dock, an FFT-bas...
Grup de recerca
CAP - Grup de Computació d'Altes Prestacions

Participants

  • Pons, Carles  (autor)
  • Jimenez Gonzalez, Daniel  (autor)
  • González Álvarez, Cecilia  (autor)
  • Servat Gelabert, Harald  (autor)
  • Cabrera Benitez, Daniel  (autor)
  • Aguilar, Xavier  (autor)
  • Fernández Recio, Juan  (autor)