The implementation of a fast and accurate QM/MM potential method in Amber.
Ross C. WalkerMichael F. CrowleyDavid A. CasePublished in: J. Comput. Chem. (2008)
Keyphrases
- high accuracy
- experimental evaluation
- high precision
- highly accurate
- computational cost
- computational complexity
- theoretical analysis
- computationally efficient
- neural network
- detection method
- clustering method
- input data
- completely automatic
- optimization method
- synthetic data
- support vector machine svm
- feature set
- d objects
- significant improvement
- prior knowledge
- multiresolution
- pairwise
- preprocessing
- multiscale
- similarity measure