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: CoRR (2021)
Keyphrases
- virtual screening
- high throughput
- drug discovery
- protein protein interactions
- similarity searching
- mass spectrometry data
- mass spectrometry
- genome wide
- systems biology
- microarray
- biological data
- biological systems
- chemical compounds
- binding sites
- scoring function
- proteomic data
- data acquisition
- feature selection
- computational methods
- biologically inspired
- early stage
- gene expression
- complex systems
- similarity search
- low cost
- databases