Efficient model chemistries for peptides. I. General framework and a study of the heterolevel approximation in RHF and MP2 with Pople split-valence basis sets.
Pablo EcheniqueJosé Luis AlonsoPublished in: J. Comput. Chem. (2008)
Keyphrases
- theoretical framework
- probabilistic model
- theoretical foundation
- computational model
- statistical model
- study proposes
- formal model
- simulation study
- generic model
- decision model
- experimental data
- bayesian framework
- unified model
- high level
- mathematical model
- management system
- high throughput
- closed form
- logic programs