Drude polarizable force field for cation-π interactions of alkali and quaternary ammonium ions with aromatic amino acid side chains.
Esam A. OrabiRebecca L. DavisGuillaume LamoureuxPublished in: J. Comput. Chem. (2020)
Keyphrases
- amino acids
- force field
- amino acid sequences
- protein sequences
- active contours
- active contour model
- protein function
- deformable models
- protein structure
- secondary structure
- protein structure prediction
- object boundaries
- information theory
- sequence alignment
- gradient vector flow
- vector field
- feature selection
- multi view
- multiscale
- similarity measure