A semiempirical free energy force field with charge-based desolvation.
Ruth HueyGarrett M. MorrisArthur J. OlsonDavid S. GoodsellPublished in: J. Comput. Chem. (2007)
Keyphrases
- free energy
- force field
- active contour model
- active contours
- belief propagation
- upper bound
- information theory
- competitive learning
- deformable models
- fixed point
- approximate inference
- posterior distribution
- gradient vector flow
- energy minimization
- graphical models
- vector field
- self organizing maps
- markov random field
- gradient field
- machine learning