The power of coarse graining in biomolecular simulations

  title={The power of coarse graining in biomolecular simulations},
  author={Helgi I. Ing{\'o}lfsson and Cesar A. L{\'o}pez and Jaakko J Uusitalo and Djurre H. de Jong and Srinivasa Murthy Gopal and Xavier Periole and Siewert J. Marrink},
  booktitle={Wiley interdisciplinary reviews. Computational molecular science},
Computational modeling of biological systems is challenging because of the multitude of spatial and temporal scales involved. Replacing atomistic detail with lower resolution, coarse grained (CG), beads has opened the way to simulate large-scale biomolecular processes on time scales inaccessible to all-atom models. We provide an overview of some of the more popular CG models used in biomolecular applications to date, focusing on models that retain chemical specificity. A few state-of-the-art… CONTINUE READING
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