Quantum chemical geometry optimizations in proteins using crystallographic raw data.
Ulf RydeLars OlsenKristina NilssonPublished in: J. Comput. Chem. (2002)
Keyphrases
- raw data
- chemical compounds
- three dimensional
- original data
- clinical data
- quantum inspired
- drug discovery
- protein sequences
- quantum computing
- textual data
- amino acids
- quantum mechanics
- protein protein interactions
- quantum computation
- probability ranking principle
- subcellular localization
- amino acid sequences
- protein structure prediction
- biological processes
- data sets
- protein structure
- geometric constraints
- functional modules
- image data
- chemical reactions
- protein protein interaction networks
- semistructured data
- computational methods