Recent advances in coarse-grained modeling of virus assembly

Abstract

In many virus families, tens to thousands of proteins assemble spontaneously into a capsid (protein shell) while packaging the genomic nucleic acid. This review summarizes recent advances in computational modeling of these dynamical processes. We present an overview of recent technological and algorithmic developments, which are enabling simulations to describe the large ranges of length-and time-scales relevant to assembly, under conditions more closely matched to experiments than in earlier work. We then describe two examples in which computational modeling has recently provided an important complement to experiments.

arXiv comment9 pages, 3 figures

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Cited by in corpus (13)

• Equilibrium mechanisms of self-limiting assembly
• Minimal coarse-grained models for molecular self-organisation in biology
• In vitro protease cleavage and computer simulations reveal the HIV-1 capsid maturation pathway
• The role of the encapsulated cargo in microcompartment assembly
• Effects of RNA branching on the electrostatic stabilization of viruses
• Impact of a non-uniform charge distribution on virus assembly
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• Self Consistent Field Theory of Virus Assembly
• A simple, general criterion for onset of disclination disorder on curved surfaces
• Molecular dynamics characterization of the free and encapsidated RNA2 of CCMV with the oxRNA model
• Coarse-graining strategy for molecular pair interactions: A reaction coordinate study for two- and three-dimensional systems