Computation of hydration free energies of organic solutes with an implicit water model.
Mikhail V. BasilevskyIgor V. LeontyevSofia V. LuschekinaOlga A. KondakovaVladimir B. SulimovPublished in: J. Comput. Chem. (2006)
Keyphrases
- mathematical model
- statistical model
- high level
- computational model
- theoretical analysis
- genetic algorithm
- formal model
- probability distribution
- real time
- graphical models
- graph cuts
- prior knowledge
- multiscale
- energy function
- theoretical framework
- computer vision
- search engine
- experimental data
- conceptual model
- prediction model