Conformational analysis of the tyrosine dipeptide analogue in the gas phase and in aqueous solution by a density functional/continuum solvent model.
Emma LangellaNadia RegaRoberto ImprotaOrlando CrescenziVincenzo BaronePublished in: J. Comput. Chem. (2002)
Keyphrases
- mathematical model
- closed form
- computational model
- probabilistic model
- cost function
- theoretical framework
- high level
- empirical data
- least squares
- objective function
- statistical analysis
- theoretical analysis
- multi objective
- experimental data
- reinforcement learning
- statistical methods
- sensitivity analysis
- clustering algorithm
- functional properties
- functional analysis