Calibration of force-field dependency in free energy landscapes of peptide conformations by quantum chemical calculations.
Satoshi OnoMasataka KurodaJunichi HigoNobuyuki NakajimaHaruki NakamuraPublished in: J. Comput. Chem. (2002)
Keyphrases
- free energy
- force field
- amino acids
- active contours
- active contour model
- belief propagation
- deformable models
- protein structure
- fixed point
- protein sequences
- upper bound
- competitive learning
- posterior distribution
- gradient vector flow
- information theory
- approximate inference
- energy minimization
- shape prior
- graphical models
- image segmentation
- probability distribution
- lower bound
- gradient field
- high quality
- three dimensional