Robustness in the fitting of molecular mechanics parameters.
Kenno VanommeslaegheMingjun YangAlexander D. MacKerell Jr.Published in: J. Comput. Chem. (2015)
Keyphrases
- parameter estimation
- input parameters
- maximum likelihood
- maximum likelihood estimation
- neural network
- computational efficiency
- parameter settings
- residual errors
- data sets
- linear least squares
- fitting method
- design parameters
- parameter tuning
- parameter values
- sensitivity analysis
- input data
- least squares
- video sequences
- website
- data mining