Protein-ligand pose and affinity prediction: Lessons from D3R Grand Challenge 3.
Panagiotis I. KoukosLi C. XueAlexandre M. J. J. BonvinPublished in: J. Comput. Aided Mol. Des. (2019)
Keyphrases
- grand challenge
- drug design
- protein structure prediction
- contact map
- subcellular localization
- protein secondary structure
- drug discovery
- contact maps
- protein structure
- protein protein interactions
- virtual screening
- autonomous driving
- prediction accuracy
- pose estimation
- pairwise
- protein secondary structure prediction
- protein tertiary structure
- prediction model
- protein protein
- protein sequences
- lessons learned
- predicting protein
- sequence analysis
- high throughput
- database
- remote homology detection
- protein interaction
- protein function prediction
- sequence alignment
- grand challenges
- multiple sequence alignments
- physico chemical