GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit.
Sander PronkSzilárd PállRoland SchulzPer LarssonPär BjelkmarRossen ApostolovMichael R. ShirtsJeremy C. SmithPeter M. KassonDavid van der SpoelBerk HessErik LindahlPublished in: Bioinform. (2013)
Keyphrases
- high throughput
- highly parallel
- open source
- microarray
- genome wide
- living cells
- mass spectrometry
- biological data
- systems biology
- efficient implementation
- virtual screening
- parallel architectures
- mass spectrometry data
- computing systems
- interaction networks
- single chip
- proteomic data
- single pass
- data acquisition
- protein protein interactions
- low cost
- database
- parallel programming
- databases