NNScore: A Neural-Network-Based Scoring Function for the Characterization of Protein-Ligand Complexes.
Jacob D. DurrantJames Andrew McCammonPublished in: J. Chem. Inf. Model. (2010)
Keyphrases
- virtual screening
- scoring function
- protein complexes
- structure learning
- drug discovery
- protein protein
- scoring functions
- ranking functions
- similarity searching
- drug design
- sample size
- protein protein interactions
- feature vectors
- classification accuracy
- binding sites
- machine learning
- multiple alignment
- feature extraction