Predicting hydrophobic solvation by molecular simulation: 2. New united-atom model for alkanes, alkenes, and alkynes.
Miguel JorgePublished in: J. Comput. Chem. (2017)
Keyphrases
- simulation model
- computational model
- theoretical analysis
- mathematical model
- statistical model
- analytical model
- probabilistic model
- probability distribution
- management system
- simulation tool
- database
- prediction model
- formal model
- conceptual model
- process model
- control system
- bayesian networks
- image sequences
- high level
- learning algorithm