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The packaging of genetic material within a protein shell, called the capsid, marks a pivotal step in the life cycle of numerous single-stranded RNA viruses. Understanding how hundreds, or even thousands, of proteins assemble around the…

Biological Physics · Physics 2024-09-04 Siyu Li , Guillaume Tresset , Roya Zandi

Bacterial microcompartments are large, roughly icosahedral shells that assemble around enzymes and reactants involved in certain metabolic pathways in bacteria. Motivated by microcompartment assembly, we use coarse-grained computational and…

Biological Physics · Physics 2019-05-07 Farzaneh Mohajerani , Michael F. Hagan

We develop coarse-grained models that describe the dynamic encapsidation of functionalized nanoparticles by viral capsid proteins. We find that some forms of cooperative interactions between protein subunits and nanoparticles can…

Biomolecules · Quantitative Biology 2009-11-13 Michael F. Hagan

The coat proteins of many viruses spontaneously form icosahedral capsids around nucleic acids or other polymers. Elucidating the role of the packaged polymer in capsid formation could promote biomedical efforts to block viral replication…

Biomolecules · Quantitative Biology 2015-05-19 Oren M. Elrad , Michael F. Hagan

We develop equilibrium and kinetic theories that describe the assembly of viral capsid proteins on a charged central core, as seen in recent experiments in which brome mosaic virus (BMV) capsids assemble around nanoparticles functionalized…

Biomolecules · Quantitative Biology 2009-05-06 Michael F. Hagan

We develop a class of models with which we simulate the assembly of particles into T1 capsid-like objects using Newtonian dynamics. By simulating assembly for many different values of system parameters, we vary the forces that drive…

Biomolecules · Quantitative Biology 2009-11-11 Michael F. Hagan , David Chandler

Capsids of many viruses assemble around nucleic acids or other polymers. Understanding how the properties of the packaged polymer affect the assembly process could promote biomedical efforts to prevent viral assembly or nanomaterials…

Biomolecules · Quantitative Biology 2015-05-18 Aleksandr Kivenson , Michael F. Hagan

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…

Biomolecules · Quantitative Biology 2013-01-09 Michael F. Hagan

Simple RNA viruses self-assemble spontaneously and encapsulate their genome into a shell called the capsid. This process is mainly driven by the attractive electrostatic interaction between the positive charges on capsid proteins and the…

Biological Physics · Physics 2022-02-22 Sanaz Panahandeh , Siyu Li , Bogdan Dragnea , Roya Zandi

For many viruses assembly and budding occur simultaneously during virion formation. Understanding the mechanisms underlying this process could promote biomedical efforts to block viral propagation and enable use of capsids in nanomaterials…

Subcellular Processes · Quantitative Biology 2014-03-11 Teresa Ruiz-Herrero , Michael F. Hagan

A series of simulations aimed at elucidating the self-assembly dynamics of spherical virus capsids is described. This little-understood phenomenon is a fascinating example of the complex processes that occur in the simplest of organisms.…

Soft Condensed Matter · Physics 2015-05-19 D. C. Rapaport

Viruses are nanoscale entities containing a nucleic acid genome encased in a protein shell called a capsid, and in some cases surrounded by a lipid bilayer membrane. This review summarizes the physics that govern the processes by which…

Biomolecules · Quantitative Biology 2015-05-20 Jason D Perlmutter , Michael F Hagan

The ability of virus shells to encapsulate a wide range of functional cargoes, especially multiple cargoes - siRNAs, enzymes, and chromophores - has made them an essential tool in biotechnology for advancing drug delivery applications and…

We consider self-assembly of proteins into a virus capsid by the methods of molecular dynamics. The capsid corresponds either to SPMV or CCMV and is studied with and without the RNA molecule inside. The proteins are flexible and described…

Biomolecules · Quantitative Biology 2018-11-05 Karol Wolek , Marek Cieplak

The formation of a viral capsid -- the highly-ordered protein shell that surrounds the genome of a virus -- is the canonical example of self-assembly. The capsids of many positive-sense RNA viruses spontaneously assemble from in vitro…

Soft Condensed Matter · Physics 2022-06-08 Rees F. Garmann , Aaron M. Goldfain , Vinothan N. Manoharan

In order to replicate within their cellular host, many viruses have developed self-assembly strategies for their capsids which are sufficiently robust as to be reconstituted in vitro. Mathematical models for virus self-assembly usually…

Subcellular Processes · Quantitative Biology 2015-02-03 Johanna E. Baschek , Heinrich C. R. Klein , Ulrich S. Schwarz

We propose a description for the quasi-equilibrium self-assembly of small, single-stranded (ss) RNA viruses whose capsid proteins (CPs) have flexible, positively charged, disordered tails that associate with the negatively charged RNA…

Soft Condensed Matter · Physics 2016-03-23 Robijn F. Bruinsma , Mauricio Comas-Garcia , Rees F. Garmann , Alexander Y. Grosberg

We study the self-assembly behaviour of patchy particles with `protein-like' interactions that can be considered as a minimal model for the assembly of viral capsids and other shell-like protein complexes. We thoroughly explore the…

Soft Condensed Matter · Physics 2010-01-21 Alex W. Wilber , Jonathan P. K. Doye , Ard A. Louis , Anna C. F. Lewis

The protein shells, or capsids, of all sphere-like viruses adopt icosahedral symmetry. In the present paper we propose a statistical thermodynamic model for viral self-assembly. We find that icosahedral symmetry is not expected for viral…

Soft Condensed Matter · Physics 2009-11-07 Robijn F. Bruinsma , William M. Gelbart , David Reguera , Joseph Rudnick , Roya Zandi

Self-assembly at submicroscopic scales is an important but little understood phenomenon. A prominent example is virus capsid growth, whose underlying behavior can be modeled using simple particles that assemble into polyhedral shells.…

Soft Condensed Matter · Physics 2008-10-28 D. C. Rapaport
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