New and fast statistical-thermodynamic method for computation of protein-ligand binding entropy substantially improves docking accuracy.
Anatoly M. RuvinskyA. V. KozintsevPublished in: J. Comput. Chem. (2005)
Keyphrases
- high accuracy
- pairwise
- high precision
- significant improvement
- computational cost
- classification accuracy
- error rate
- computational efficiency
- detection method
- information entropy
- highly accurate
- correlation coefficient
- segmentation method
- statistical analysis
- mutual information
- objective function
- clustering method
- information theoretic
- probabilistic model
- dynamic programming
- statistical significance
- statistical information
- accuracy rate
- computational complexity