Conformational dependence of charges in protein simulations.
Pär SöderhjelmUlf RydePublished in: J. Comput. Chem. (2009)
Keyphrases
- protein folding
- molecular dynamics
- molecular dynamics simulations
- experimentally determined
- protein structure
- protein structure prediction
- protein sequences
- low energy
- numerical simulations
- secondary structure
- coarse grained
- amino acids
- protein function
- molecular biology
- mass spectrometry
- hiv protease
- multiple sequence alignment
- subcellular localization
- sequence analysis
- high performance computing
- protein protein interactions