POAP: A GNU parallel based multithreaded pipeline of open babel and AutoDock suite for boosted high throughput virtual screening.
A. SamdaniUmashankar VetrivelPublished in: Comput. Biol. Chem. (2018)
Keyphrases
- high throughput
- virtual screening
- microarray
- drug discovery
- shared memory
- systems biology
- biological data
- protein protein interactions
- data acquisition
- similarity searching
- gene expression
- data mining
- database systems
- machine learning
- data sets
- real time
- gene expression data
- high speed
- feature selection
- molecular biology
- databases