The Theory of Ultra-Coarse-Graining. 1. General Principles.

  title={The Theory of Ultra-Coarse-Graining. 1. General Principles.},
  author={James F Dama and Anton V Sinitskiy and Martin McCullagh and Jonathan Weare and Beno{\^i}t Roux and Aaron R. Dinner and Gregory A. Voth},
  journal={Journal of chemical theory and computation},
  volume={9 5},
Coarse-grained (CG) models provide a computationally efficient means to study biomolecular and other soft matter processes involving large numbers of atoms correlated over distance scales of many covalent bond lengths and long time scales. Variational methods based on information from simulations of finer-grained (e.g., all-atom) models, for example the… CONTINUE READING