A journey through mapping space: characterising the statistical and metric properties of reduced representations of macromolecules

@article{Menichetti2021AJT,
  title={A journey through mapping space: characterising the statistical and metric properties of reduced representations of macromolecules},
  author={Roberto Menichetti and Marco Giulini and Raffaello Potestio},
  journal={The European Physical Journal. B},
  year={2021},
  volume={94}
}
A mapping of a macromolecule is a prescription to construct a simplified representation of the system in which only a subset of its constituent atoms is retained. As the specific choice of the mapping affects the analysis of all-atom simulations as well as the construction of coarse-grained models, the characterisation of the mapping space has recently attracted increasing attention. We here introduce a notion of scalar product and distance between reduced representations, which allows the… 
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