Lennard-Jones parameters for the combined QM/MM method using the B3LYP/6-31G*/AMBER potential.
Marek FreindorfYihan ShaoThomas R. FurlaniJing KongPublished in: J. Comput. Chem. (2005)
Keyphrases
- input data
- detection method
- similarity measure
- synthetic data
- pairwise
- sensitivity analysis
- correlation coefficient
- high precision
- objective function
- parameter selection
- significant improvement
- optimization method
- fine tuning
- image segmentation
- maximum likelihood estimation
- parameter space
- clustering method
- support vector machine svm
- edge detection
- support vector machine
- cost function
- prior knowledge
- artificial neural networks
- preprocessing