Problems in simulating macromolecular movements.
Insufficient sampling of conformational sub-states by current molecular dynamics simulations accounts for deficiencies in representations of the fluctuating interatomic separations in macromolecules.
Caspar
D L
DL
Institute of Molecular Biophysics, Florida State University, Tallahassee 32306-3015, USA.
D003198:Computer Simulation; D018360:Crystallography, X-Ray; D046911:Macromolecular Substances; D008958:Models, Molecular; D008968:Molecular Conformation; D009038:Motion; D009211:Myoglobin / Q000737:chemistry; D011487:Protein Conformation
D046911:Macromolecular Substances; D009211:Myoglobin