Intramolecular interaction energies in model alanine and glycine tetrapeptides. Evaluation of anisotropy, polarization, and correlation effects. A parallel ab initio HF/MP2, DFT, and polarizable molecular mechanics study.
Nohad GreshSherif A. KafafiJean-François TruchonDennis R. SalahubPublished in: J. Comput. Chem. (2004)
Keyphrases
- evaluation model
- study proposes
- computational model
- simulation study
- statistical model
- mathematical model
- theoretical framework
- evaluation method
- high level
- three dimensional
- markov random field
- neural network
- probability distribution
- probabilistic model
- multiscale
- parallel processing
- similarity measure
- regression analysis