Parallel Computation of Non-Bonded Interactions in Drug Discovery: Nvidia GPUs vs. Intel Xeon Phi.
Jianbin FangAna Lucia VarbanescuBaldomero ImbernonJosé M. CeciliaHoracio Emilio Pérez SánchezPublished in: IWBBIO (2014)
Keyphrases
- parallel computation
- graphics processing units
- drug discovery
- intel xeon
- high performance computing
- general purpose
- parallel implementation
- parallel programming
- parallel processing
- parallel computing
- gpu implementation
- pharmaceutical industry
- massively parallel
- virtual screening
- computing systems
- real time
- parallel algorithm
- compute unified device architecture
- early stage
- biological systems
- efficient implementation
- floating point
- discovery process
- systems biology
- data mining
- scientific data
- knowledge discovery
- database systems