Enhancing Protein-Ligand Binding Affinity Predictions Using Neural Network Potentials.
Francesc Sabanés ZariquieyRaimondas GalvelisEmilio GallicchioJohn D. ChoderaThomas E. MarklandGianni De FabritiisPublished in: J. Chem. Inf. Model. (2024)
Keyphrases
- neural network
- drug design
- virtual screening
- dna binding
- protein protein
- drug discovery
- binding sites
- protein protein interactions
- back propagation
- artificial neural networks
- protein sequences
- computational methods
- high throughput
- protein structure
- pairwise
- high order
- protein structure prediction
- higher order
- neural network model
- genetic algorithm
- transcription factor binding sites
- potential functions
- multi layer perceptron
- amino acids
- bp neural network
- feed forward
- genome wide
- protein folding
- interaction networks
- predicting protein
- radial basis function
- subcellular localization
- sequence analysis
- self organizing maps
- learning algorithm