Implicit treatment of solvent dispersion forces in protein simulations.
Sergio A. HassanPublished in: J. Comput. Chem. (2014)
Keyphrases
- molecular dynamics
- molecular dynamics simulations
- protein structure
- protein sequences
- protein folding
- numerical simulations
- amino acids
- protein structure prediction
- social networks
- subcellular localization
- external forces
- contact map
- mass spectrometry
- high performance computing
- medical treatment
- search algorithm
- feature selection
- tandem mass spectra
- data sets