title: The power of coarse graining in biomolecular simulations.
abstract: 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 examples of protein folding, membrane protein gating and self-assembly, DNA hybridization, and modeling of carbohydrate fibers are used to illustrate the power and diversity of current CG modeling.
authors.affiliation: Groningen Biomolecular Sciences and Biotechnology Institute & Zernike Institute for Advanced Materials, University of Groningen Groningen, The Netherlands.
authors.forename: Helgi I
authors.initials: HI
authors.lastname: Ingólfsson
authors.affiliation: Groningen Biomolecular Sciences and Biotechnology Institute & Zernike Institute for Advanced Materials, University of Groningen Groningen, The Netherlands.
authors.forename: Cesar A
authors.initials: CA
authors.lastname: Lopez
authors.affiliation: Groningen Biomolecular Sciences and Biotechnology Institute & Zernike Institute for Advanced Materials, University of Groningen Groningen, The Netherlands.
authors.forename: Jaakko J
authors.initials: JJ
authors.lastname: Uusitalo
authors.affiliation: Groningen Biomolecular Sciences and Biotechnology Institute & Zernike Institute for Advanced Materials, University of Groningen Groningen, The Netherlands.
authors.forename: Djurre H
authors.initials: DH
authors.lastname: de Jong
authors.affiliation: Groningen Biomolecular Sciences and Biotechnology Institute & Zernike Institute for Advanced Materials, University of Groningen Groningen, The Netherlands.
authors.forename: Srinivasa M
authors.initials: SM
authors.lastname: Gopal
authors.affiliation: Groningen Biomolecular Sciences and Biotechnology Institute & Zernike Institute for Advanced Materials, University of Groningen Groningen, The Netherlands.
authors.forename: Xavier
authors.initials: X
authors.lastname: Periole
authors.affiliation: Groningen Biomolecular Sciences and Biotechnology Institute & Zernike Institute for Advanced Materials, University of Groningen Groningen, The Netherlands.
authors.forename: Siewert J
authors.initials: SJ
authors.lastname: Marrink