Conformational energy penalties of protein-bound ligands.
Jonas BoströmPer-Ola NorrbyTommy LiljeforsPublished in: J. Comput. Aided Mol. Des. (1998)
Keyphrases
- protein folding
- low energy
- drug design
- virtual screening
- protein structure prediction
- upper bound
- energy consumption
- amino acids
- experimentally determined
- protein structure
- protein sequences
- lower bound
- hiv protease
- energy efficient
- subcellular localization
- molecular dynamics
- energy minimization
- drug discovery
- worst case
- secondary structure
- electron microscopy
- similarity searching
- error bounds
- power consumption
- scoring function
- protein interaction data
- energy saving
- protein protein interactions