D3R Grand Challenge 3: blind prediction of protein-ligand poses and affinity rankings.
Zied GaiebConor D. ParksMichael ChiuHuanwang YangChenghua ShaoW. Patrick WaltersMillard H. LambertNeysa NevinsScott D. BembenekMichael K. AmeriksTara MirzadeganStephen K. BurleyRommie E. AmaroMichael K. GilsonPublished in: J. Comput. Aided Mol. Des. (2019)
Keyphrases
- grand challenge
- drug design
- protein structure prediction
- subcellular localization
- contact map
- autonomous driving
- drug discovery
- protein secondary structure
- virtual screening
- contact maps
- predicting protein
- protein protein
- prediction accuracy
- protein protein interactions
- amino acids
- prediction model
- high throughput
- pairwise
- protein homology
- protein structure
- protein sequences
- protein tertiary structure
- experimentally determined
- protein interaction
- protein secondary structure prediction
- gene prediction
- multiple sequence alignments
- remote homology detection
- amino acid sequences
- protein function prediction
- protein function