The Influence of Variations of Ligand Protonation and Tautomerism on Protein-Ligand Recognition and Binding Energy Landscape.
Nikolay P. TodorovPhilippe H. MonthouxIan L. AlbertsPublished in: J. Chem. Inf. Model. (2006)
Keyphrases
- drug design
- virtual screening
- energy landscape
- protein protein
- drug discovery
- recognition rate
- recognition accuracy
- high throughput
- protein protein interactions
- similarity searching
- object recognition
- protein sequences
- computational methods
- binding sites
- predicting protein
- protein structure prediction
- protein function
- dna binding
- interaction networks
- simulated annealing
- protein structure
- higher order
- coarse grained
- biological data
- feature extraction
- fine grained
- pairwise
- genetic algorithm