High-Throughput Calculation of Protein-Ligand Binding Affinities: Modification and Adaptation of the MM-PBSA Protocol to Enterprise Grid Computing.
Scott P. BrownSteven W. MuchmorePublished in: J. Chem. Inf. Model. (2006)
Keyphrases
- high throughput
- grid computing
- protein protein
- genome wide
- dna binding
- virtual screening
- mass spectrometry
- protein protein interactions
- mass spectrometry data
- distributed computing
- transcriptional regulation
- microarray
- load balancing
- biological data
- systems biology
- proteomic data
- computing environments
- peer to peer
- transcription factors
- resource management
- genomic data
- drug design
- biological knowledge
- data acquisition
- protein interaction
- ms ms
- biological processes
- predicting protein
- real time
- drug discovery
- protein function
- protein interaction networks
- interaction networks
- gene ontology
- gene expression
- protein complexes
- saccharomyces cerevisiae
- functional modules
- regulatory networks
- clinical setting
- distributed environment
- distributed systems