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Effective Parallelization of Non-bonded Interactions Kernel for Virtual Screening on GPUs.

Ginés D. GuerreroHoracio Emilio Pérez SánchezWolfgang WenzelJosé M. CeciliaJosé M. García
Published in: PACBB (2011)
Keyphrases
  • parallel processing
  • virtual screening
  • high throughput
  • binding sites
  • feature space
  • high dimensional
  • kernel methods