Computing conformational free energy differences in explicit solvent: An efficient thermodynamic cycle using an auxiliary potential and a free energy functional constructed from the end points.
Robert C. HarrisNan-Jie DengRonald M. LevyRyosuke IshizukaNobuyuki MatubayasiPublished in: J. Comput. Chem. (2017)
Keyphrases
- free energy
- energy functional
- endpoints
- belief propagation
- upper bound
- competitive learning
- level set
- energy function
- fixed point
- active contours
- image segmentation
- approximate inference
- partial differential equations
- energy minimization
- posterior distribution
- region growing
- active contour model
- pairwise
- image enhancement
- stereo matching
- probabilistic inference
- graphical models
- higher order
- lower bound