Predicting Ligand Binding Modes from Neural Networks Trained on Protein-Ligand Interaction Fingerprints.
Vladimir I. ChupakhinGilles MarcouIgor I. BaskinAlexandre VarnekDidier RognanPublished in: J. Chem. Inf. Model. (2013)
Keyphrases
- drug design
- virtual screening
- neural network
- protein protein
- drug discovery
- predicting protein
- protein interaction
- multilayer perceptron
- high throughput
- protein protein interactions
- training process
- protein structure prediction
- auto associative
- binding sites
- similarity searching
- trained neural networks
- protein sequences
- protein structure
- artificial neural networks
- backpropagation algorithm
- pattern recognition
- computational methods
- interaction networks
- dna binding
- trained neural network
- genetic algorithm
- recurrent neural networks
- back propagation
- secondary structure
- sequence analysis
- protein function
- protein complexes
- multi layer perceptron
- amino acids
- fine grained
- fuzzy logic
- multilayer neural network