FRODRUG: A Virtual Screening GPU Accelerated Approach for Drug Discovery.
Santiago Garcia SanchezErney Ramirez AportelaJosé Ignacio GarzónPablo ChacónAntonio S. MontemayorRaúl CabidoPublished in: PDP (2014)
Keyphrases
- gpu accelerated
- virtual screening
- drug discovery
- real time
- chemical compounds
- early stage
- scientific data
- similarity searching
- data mining
- systems biology
- high throughput
- sequence alignment
- binding sites
- search tools
- data mining tools
- scoring function
- discovery process
- network structure
- knowledge discovery
- bayesian networks
- machine learning