The effect of different cutoff schemes in molecular simulations of proteins.
Matthias DiemChris OostenbrinkPublished in: J. Comput. Chem. (2020)
Keyphrases
- molecular dynamics
- molecular dynamics simulations
- drug design
- interaction networks
- living cells
- protein structure prediction
- data sets
- molecular level
- protein folding
- protein sequences
- protein structure
- protein protein interactions
- protein protein
- signaling pathways
- protein function prediction
- complex systems
- fine grained
- three dimensional