Efficient consideration of coordinated water molecules improves computational protein-protein and protein-ligand docking discrimination.
Ryan E. PavloviczHahnbeom ParkFrank DiMaioPublished in: PLoS Comput. Biol. (2020)
Keyphrases
- protein protein
- ligand docking
- protein protein interactions
- protein sequences
- predicting protein
- computational methods
- protein function
- protein structure
- predicting protein protein interactions
- drug design
- protein interaction
- protein complexes
- interaction networks
- high throughput
- biological processes
- mass spectrometry
- machine learning
- molecular biology
- feature selection