Effects of long-range interactions on curvature energies of viral shells

Shojaei, Hamid R.; Božič, Anže; Muthukumar, Murugappan; Podgornik, Rudolf

doi:10.1103/physreve.93.052415

Cited by 12 publications

(20 citation statements)

References 53 publications

(67 reference statements)

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“…The range of validity of our model is thus set by its coarse-grained nature in general, but more specifically also by the fact that we have not considered some of the salient features of the electrostatic interactions in the context of proteinaceous shells 30,31 , such as dielectric inhomogeneities, ionic specificity and finite electrolyte screening. While inclusion of these effects is of course in principle desirable, it would introduce new parameters and scaling functions which would make the analysis unnecessarily involved.…”

Section: Discussionmentioning

confidence: 99%

“…(5), we have neglected the Debye-Hückel type of electrolyte screening, implying that our calculation is quantitative only in the case of very dilute electrolytes, but the screening and the dielectric inhomogeneities implied by the finite thickness of the proteinaceous shell to a large extent compensate one another. A more realistic approach, based on the screened electrostatic potential and dielectric inhomogeneities 30,31 , would entail additional scaling parameters and functions, thus becoming cumbersome and difficult to follow.…”

Section: Methodsmentioning

confidence: 99%

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pH-induced morphological changes of proteinaceous viral shells

Roshal

Konevtsova

Božič

et al. 2019

Sci Rep

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Changes in environmental pH can induce morphological changes in empty proteinaceous shells of bacteriophages in vitro that are very similar to changes occurring in viral capsids in vivo after encapsidation of DNA. These changes in capsid shape and size cannot be explained with a simple elastic model alone. We propose a new theoretical framework that combines the elasticity of thin icosahedral shells with the pH dependence of capsid charge distribution. Minimization of the sum of elastic and electrostatic free energies leads to equilibrium shapes of viral shells that depend on a single elastic parameter and the detailed configuration of the imbedded protein charges. Based on the in vitro shell reconstructions of bacteriophage HK97 we elucidate the details of how the reversible transition between Prohead II and Expansion Intermediate II states of the HK97 procapsid is induced by pH changes, as well as some other features of the bacteriophage maturation.

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Section: Discussionmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

pH-induced morphological changes of proteinaceous viral shells

Roshal

Konevtsova

Božič

et al. 2019

Sci Rep

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show abstract

“…1. In a similar fashion, one could include the dependence of capsid elastic constants on external, electrostatic parameters (49).…”

Section: Swelling As Expansion Of An Elastic Icosahedral Shell Under Pressurementioning

confidence: 99%

Electrostatics-Driven Inflation of Elastic Icosahedral Shells as a Model for Swelling of Viruses

Božič

Šiber

2018

Biophysical Journal

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We develop a clear theoretical description of radial swelling in virus-like particles that delineates the importance of electrostatic contributions to swelling in the absence of any conformational changes. The model couples the elastic parameters of the capsid-represented as a continuous elastic shell-to the electrostatic pressure acting on it. We show that different modifications of the electrostatic interactions brought about by, for instance, changes in pH or solution ionic strength are often sufficient to achieve the experimentally observed swelling (∼10% of the capsid radius). Additionally, we derive analytical expressions for the electrostatics-driven radial swelling of virus-like particles that enable one to quickly estimate the magnitudes of physical quantities involved.

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“…Several theoretical studies also addressed the curvature moduli of membranes subject to van der Waals interactions [35][36][37] and the elasticity of flexoelectric membranes [38,39].…”

Section: Introductionmentioning

confidence: 99%

“…A comparison between our calculations and the results in Refs. [30][31][32][33][34][35][36][37] is not direct because of the differences of the systems under examination. In the case of charged membranes immersed in solutions with added salt, Coulomb interactions are Debye-screened and become effectively short-ranged.…”

Section: Introductionmentioning

confidence: 99%

Thermal fluctuations in crystalline membranes with long-range dipole interactions

Mauri¹,

Katsnelson²

2020

Annals of Physics

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We study the effects of long-range electrostatic interactions on the thermal fluctuations of freestanding crystalline membranes exhibiting spontaneous electric polarization directed at each point along the local normal to the surface. We show that the leading effect of dipole-dipole interactions in the long-wavelength limit consists in renormalizations of the bending rigidity and the elastic coefficients. A completely different result was obtained in the case of scalar two-point interactions decaying as |R| −3 , where |R| is the distance. In the latter case, which was addressed in previous theoretical research, the energy of long-wavelength bending fluctuations is controlled by power-law interactions and it scales with the wavevector q as |q| 3 , leading to a modified large-distance behaviour of correlation functions. By contrast, in the case of dipole interactions, the |q| 3 dependence of the bending energy vanishes. Non-local terms generated by the expansion of the electrostatic energy are suppressed in the limit of small wavevectors. This suggests that the universal scaling behaviour of elastic membranes holds even in presence of dipole interactions. At the same time, the shift of the Lamé coefficients and the bending rigidity induced by electrostatic interactions can be quantitatively important for two-dimensional materials with a permanent out-of-plane polarization.

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Effects of long-range interactions on curvature energies of viral shells

Cited by 12 publications

References 53 publications

pH-induced morphological changes of proteinaceous viral shells

pH-induced morphological changes of proteinaceous viral shells

Electrostatics-Driven Inflation of Elastic Icosahedral Shells as a Model for Swelling of Viruses

Thermal fluctuations in crystalline membranes with long-range dipole interactions

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