Scoring noncovalent protein-ligand interactions: A continuous differentiable function tuned to compute binding affinities.
Ajay N. JainPublished in: J. Comput. Aided Mol. Des. (1996)
Keyphrases
- protein protein
- dna binding
- drug design
- protein protein interactions
- piecewise linear
- binding sites
- high throughput
- computational methods
- continuous functions
- protein interaction
- virtual screening
- protein sequences
- strictly convex
- objective function
- protein structure prediction
- interaction networks
- predicting protein
- pairwise
- drug discovery
- network topology
- cellular processes