Large-Scale QM/MM Calculations of Electronic Excitations in Yellow Protein: Toward Petascale Level of Protein Calculations.
Marek FreindorfMatthew D. JonesYihan ShaoJing KongThomas R. FurlaniPublished in: BIBE (2007)
Keyphrases
- protein sequences
- protein structure
- amino acids
- protein structure prediction
- protein protein interactions
- protein interaction data
- mass spectrometry data
- subcellular localization
- predicting protein
- molecular structures
- mass spectrometry
- physicochemical properties
- higher level
- protein function
- amino acid sequences
- rms error
- tandem mass spectra
- virtual screening
- dead end
- real world
- mass spectra
- contact map
- chemical compounds
- protein protein interaction networks
- protein folding
- protein interaction
- sequence alignment
- small scale
- augmented reality
- pairwise