AtomNet PoseRanker: Enriching Ligand Pose Quality for Dynamic Proteins in Virtual High-Throughput Screens.
Kate A. StaffordBrandon M. AndersonJon SorensonHenry van den BedemPublished in: J. Chem. Inf. Model. (2022)
Keyphrases
- high throughput
- protein protein interactions
- protein protein
- living cells
- mass spectrometry
- microarray
- genome wide
- biological data
- systems biology
- genomic data
- interaction networks
- data acquisition
- protein function
- biological knowledge
- biological processes
- protein interaction
- drug design
- biomedical literature
- real time
- pose estimation
- predicting protein
- virtual screening
- mass spectrometry data
- genome sequencing
- saccharomyces cerevisiae
- proteomic data
- computational approaches
- functional modules
- gene ontology
- molecular biology
- computational methods
- protein structure
- monitoring system
- data mining