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Challenges in Multiscale Modeling of Polymer Dynamics
Polymers 2013, 5(3), 890-936; doi:10.3390/polym5030890

Coarse-Grained Models for Protein-Cell Membrane Interactions

1 Department of Chemical and Biomolecular Engineering, University of Pennsylvania, Philadelphia,PA 19104, USA 2 Department of Bioengineering, University of Pennsylvania, Philadelphia, PA 19104, USA
* Author to whom correspondence should be addressed.
Received: 26 April 2013 / Revised: 20 June 2013 / Accepted: 20 June 2013 / Published: 2 July 2013
(This article belongs to the Special Issue Multiscale Simulations in Soft Matter)
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The physiological properties of biological soft matter are the product of collective interactions, which span many time and length scales. Recent computational modeling efforts have helped illuminate experiments that characterize the ways in which proteins modulate membrane physics. Linking these models across time and length scales in a multiscale model explains how atomistic information propagates to larger scales. This paper reviews continuum modeling and coarse-grained molecular dynamics methods, which connect atomistic simulations and single-molecule experiments with the observed microscopic or mesoscale properties of soft-matter systems essential to our understanding of cells, particularly those involved in sculpting and remodeling cell membranes.
Keywords: molecular dynamics; coarse-grained model; membrane proteins molecular dynamics; coarse-grained model; membrane proteins
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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Bradley, R.; Radhakrishnan, R. Coarse-Grained Models for Protein-Cell Membrane Interactions. Polymers 2013, 5, 890-936.

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