Does a More Precise Chemical Description of Protein-Ligand Complexes Lead to More Accurate Prediction of Binding Affinity?
Pedro J. BallesterAdrian SchreyerTom L. BlundellPublished in: J. Chem. Inf. Model. (2014)
Keyphrases
- drug design
- drug discovery
- virtual screening
- subcellular localization
- protein secondary structure
- contact map
- protein structure prediction
- mhc class ii
- chemical compounds
- similarity searching
- prediction accuracy
- highly accurate
- dna binding
- high level
- protein structure
- protein protein
- contact maps
- protein sequences
- remote homology detection
- high throughput
- pairwise
- high accuracy
- hiv protease
- chemical reactions
- prediction model
- predicting protein
- protein complexes
- protein interaction
- systems biology
- binding sites
- biological systems
- amino acids
- protein protein interactions
- network topology