Conformational and energetic effects of truncating nonbonded interactions in an aqueous protein dynamics simulation.
Jeanmarie GuenotPeter A. KollmanPublished in: J. Comput. Chem. (1993)
Keyphrases
- cellular processes
- protein folding
- molecular dynamics
- protein interaction
- high dimensional time series
- simulation models
- dynamic model
- agent based simulations
- amino acids
- protein structure prediction
- agent based models
- low energy
- living cells
- sequence alignment
- multi agent simulation
- network dynamics
- protein sequences
- experimentally determined
- simulation model