The power of coarse graining in biomolecular simulations.
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ABSTRACT:
SUBMITTER: Ingolfsson HI
PROVIDER: S-EPMC4171755 | biostudies-literature | 2014 May
REPOSITORIES: biostudies-literature
Publications
The power of coarse graining in biomolecular simulations.
Ingólfsson Helgi I HI Lopez Cesar A CA Uusitalo Jaakko J JJ de Jong Djurre H DH Gopal Srinivasa M SM Periole Xavier X Marrink Siewert J SJ
Wiley interdisciplinary reviews. Computational molecular science 20140501 3
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 exa ...[more]
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