Quantum mechanically derived AMBER-compatible heme parameters for various states of the cytochrome P450 catalytic cycle.
Kiumars ShahrokhAnita M. OrendtGarold S. YostThomas E. Cheatham IIIPublished in: J. Comput. Chem. (2012)
Keyphrases
- maximum likelihood
- parameter values
- parameter estimation
- parameter settings
- least squares
- machine learning
- input parameters
- state variables
- support vector
- information retrieval
- objective function
- image sequences
- computer vision
- parameter tuning
- databases
- parameter selection
- initial state
- measured data
- design parameters
- quantum mechanics
- logic circuits