Intuitive, reproducible high-throughput molecular dynamics in Galaxy: a tutorial.
Simon BrayTharindu SenapathiChristopher B. BarnettBjörn A. GrüningPublished in: J. Cheminformatics (2020)
Keyphrases
- high throughput
- molecular dynamics
- genome wide
- microarray
- biological data
- data generation
- high performance computing
- systems biology
- scientific data
- molecular dynamics simulations
- protein folding
- protein protein interactions
- genomic data
- proteomic data
- data acquisition
- mass spectrometry
- fluid flow
- mass spectrometry data
- automated image analysis
- low cost
- databases
- data sets