Conformation and Reactivity of a-Oxo-Ketenes: Ab Initio and Semiempirical /AM1, PM3) Calculations.
Rudolf JanoschekWalter M. F. FabianGert KollenzC. Oliver KappePublished in: J. Comput. Chem. (1994)
Keyphrases
- protein structure prediction
- protein folding
- protein structure
- graph theory
- protein sequences
- low energy
- molecular dynamics
- secondary structure
- amino acids
- computational biology
- coarse grained
- amino acid sequences
- agent architecture
- neural network
- databases
- minimum energy
- database
- x ray
- fine grained
- probabilistic model
- cooperative
- similarity measure
- genetic algorithm