High-throughput virtual screening of small molecule inhibitors for SARS-CoV-2 protein targets with deep fusion models.
Garrett A. StevensonDerek JonesHyojin KimW. F. Drew BennettBrian J. BennionMonica BoruckiFeliza BourguetAidan EpsteinMagdalena FrancoBrooke HarmonStewart HeMax P. KatzDaniel A. KirshnerVictoria LaoEdmond Y. LauJacky LoKevin McLoughlinRichard MosessoDeepa K. MurugeshOscar A. NegreteEdwin A. SaadaBrent SegelkeMaxwell StefanMarisa W. TorresDina WeilhammerSergio E. WongYue YangAdam T. ZemlaXiaohua ZhangFangqiang ZhuFelice C. LightstoneJonathan E. AllenPublished in: SC (2021)
Keyphrases
- virtual screening
- high throughput
- drug discovery
- protein protein interactions
- similarity searching
- mass spectrometry
- mass spectrometry data
- microarray
- systems biology
- biological systems
- chemical compounds
- biological data
- binding sites
- genome wide
- bayesian networks
- data sets
- computational models
- statistical methods
- gene expression
- complex systems
- proteomic data