Protein-Ligand Scoring with Convolutional Neural Networks.
Matthew RagozaJoshua E. HochuliElisa IdroboJocelyn SunseriDavid Ryan KoesPublished in: J. Chem. Inf. Model. (2017)
Keyphrases
- convolutional neural networks
- drug design
- virtual screening
- protein protein
- drug discovery
- convolutional network
- protein protein interactions
- protein sequences
- protein structure prediction
- high throughput
- protein structure
- amino acids
- computational methods
- protein function
- similarity searching
- predicting protein
- interaction networks
- protein interaction data
- binding sites
- subcellular localization
- scoring model
- high precision
- amino acid sequences
- protein folding
- sequence alignment
- molecular biology
- contact map
- protein complexes
- molecular structures
- biological systems
- similarity search