Comparative Assessment of Computational Methods for Free Energy Calculations of Ionic Hydration.
Haiyang ZhangYang JiangHai YanZiheng CuiChunhua YinPublished in: J. Chem. Inf. Model. (2017)
Keyphrases
- computational methods
- free energy
- upper bound
- belief propagation
- fixed point
- statistical methods
- computational approaches
- competitive learning
- posterior distribution
- approximate inference
- machine learning
- graphical models
- markov random field
- computational tools
- stereo matching
- level set
- protein protein interactions
- neural network