Details of charge distribution in stable viral capsid
نویسندگان
چکیده
منابع مشابه
How simple can a model of an empty viral capsid be? Charge distributions in viral capsids.
We investigate and quantify salient features of the charge distributions on viral capsids. Our analysis combines the experimentally determined capsid geometry with simple models for ionization of amino acids, thus yielding a detailed description of spatial distribution for positive and negative charges across the capsid wall. The obtained data is processed in order to extract the mean radii of ...
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I present a review of the theoretical and computational methodologies that have been used to model the assembly of viral capsids. I discuss the capabilities and limitations of approaches ranging from equilibrium continuum theories to molecular dynamics simulations, and I give an overview of some of the important conclusions about virus assembly that have resulted from these modeling efforts. To...
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We establish an appropriate thermodynamic framework for determining the optimal genome length in electrostatically driven viral encapsidation. Importantly, our analysis includes the electrostatic potential due to the Donnan equilibrium, which arises from the semipermeable nature of the viral capsid, i.e., permeable to small mobile ions but impermeable to charged macromolecules. Because most mac...
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Recent results in structural biology and increases in computer power have prompted initial theoretical studies on capsids of nonenveloped icosahedral viruses. The macromolecular assembly of 60 to 180 protein copies into a protein shell results in a structure of considerable size for molecular dynamics simulations. Nonetheless, progress has been made in examining these capsid assemblies from mol...
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The small size, and thus coding capacity, of viral genomes necessitates the repetitive use of identical building blocks in constructing the viral capsid. This genetic economy gives rise to highly symmetric structures, typically with either helical or icosahedral geometries. Assembly of symmetric viral capsids is believed to proceed via “conformational switching” of individual protein subunits (...
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ژورنال
عنوان ژورنال: Journal of Molecular Liquids
سال: 2018
ISSN: 0167-7322
DOI: 10.1016/j.molliq.2018.06.019