Calculation of the water-cyclohexane transfer free energies of neutral amino acid side-chain analogs using the OPLS all-atom force field.
Justin L. MacCallumD. Peter TielemanPublished in: J. Comput. Chem. (2003)
Keyphrases
- amino acids
- force field
- protein sequences
- active contours
- active contour model
- protein function
- deformable models
- secondary structure
- protein structure
- markov random field
- information theory
- physico chemical
- amino acid sequences
- graph cuts
- higher order
- gradient vector flow
- energy minimization
- vector field
- energy function
- sequence alignment
- object boundaries
- protein structure prediction
- gradient field
- computer vision
- image analysis
- physicochemical properties