Correction to "Combining QM/MM Calculations with Classical Mining Minima to Predict Protein-Ligand Binding Free Energy".
Farzad MolaniSimon WebbArt E. ChoPublished in: J. Chem. Inf. Model. (2024)
Keyphrases
- free energy
- predicting protein
- protein protein
- drug design
- fixed point
- belief propagation
- virtual screening
- text mining
- upper bound
- drug discovery
- graphical models
- approximate inference
- competitive learning
- protein function
- protein structure
- posterior distribution
- protein structure prediction
- secondary structure
- amino acids
- protein protein interactions
- protein sequences
- energy minimization
- neural network
- high throughput
- post processing
- sufficient conditions
- probability distribution