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We present a generic computational framework for the simulation of viral capsid assembly which is quantitative and specific. Starting from PDB files containing atomic coordinates, the algorithm builds a coarse grained description of protein…

Quantitative Methods · Quantitative Biology 2009-11-13 Martin Hemberg , Sophia N. Yaliraki , Mauricio Barahona

Recently, Maassen et al. measured an appreciable pH difference between the bulk solution and the solution in the lumen of virus-like particles, self-assembled in an aqueous buffer solution containing the coat proteins of a simple plant…

Soft Condensed Matter · Physics 2023-03-08 H. J. Muhren , Paul van der Schoot

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

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

Interparticle interactions and bulk properties of colloidal suspensions can be substantially modified by addition of nanoparticles. Extreme asymmetries in size and charge between colloidal particles and nanoparticles present severe…

Soft Condensed Matter · Physics 2018-01-03 Alan R. Denton

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

Membrane budding and wrapping of particles, such as viruses and nano-particles, play a key role in intracellular transport and have been studied for a variety of biological and soft matter systems. We study nano-particle wrapping by…

Soft Condensed Matter · Physics 2013-07-25 Sabyasachi Dasgupta , Thorsten Auth , Gerhard Gompper

Self-organized complex structures in nature, e.g. viral capsids, hierarchical biopolymers, and bacterial flagella, offer efficiency, adaptability, robustness, and multi-functionality. Can we program the self-assembly of three-dimensional…

Soft Condensed Matter · Physics 2022-01-11 Francesco Serafin , Jun Lu , Nicholas Kotov , Kai Sun , Xiaoming Mao

Engineered nanoparticles made from noble metals, rare-earth oxides or semiconductors are emerging as the central constituents of future nanotech developments. In this review, a survey of the complexing strategies between nanoparticles and…

Materials Science · Physics 2011-08-25 J. -P. Chapel , J. -F. Berret

Simulations and experiments of nanorods (NRs) show that co-assembly with block copolymer (BCP) melts leads to the formation of a superstructure of side-to-side NRs perpendicular to the lamellar axis. A mesoscopic model is validated against…

Soft Condensed Matter · Physics 2020-04-14 Javier Diaz , Marco Pinna , Andrei V. Zvelindovsky , Ignacio Pagonabarraga , Roy Shenhar

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…

Self-assembly is a vital part of the life cycle of certain icosahedral RNA viruses. Furthermore, the assembly process can be harnessed to make icosahedral virus-like particles (VLPs) from coat protein and RNA in vitro. Although much…

Single-stranded RNA viruses efficiently encapsulate their genome into a protein shell called the capsid. Electrostatic interactions between the positive charges in the capsid protein's N-terminal tail and the negatively charged genome have…

Biological Physics · Physics 2021-02-03 Yinan Dong , Siyu Li , Roya Zandi

During the alphavirus lifecycle, a nucleocapsid core buds through the cell membrane to acquire an outer envelope of lipid membrane and viral glycoproteins. However, the presence of a nucleocapsid core is not required for assembly of…

Biological Physics · Physics 2018-03-14 Guillermo R. Lazaro , Suchetana Mukhopadhyay , Michael F. Hagan

Cowpea chlorotic mottle virus (CCMV) is a widely used model for virus replication studies. A major challenge lies in distinguishing between the roles of the interaction between coat proteins and that between the coat proteins and the viral…

The kinetics for the assembly of viral proteins into a population of capsids can be measured in vitro with size exclusion chromatography or dynamic light scattering, but extracting mechanistic information from these studies is challenging.…

Biomolecules · Quantitative Biology 2015-05-13 Michael F. Hagan

A theory describing the forces governing the self-assembly of nanoparticles at the solid-liquid interface is developed. In the process, new theoretical results are derived to describe the effect that the field penetration of a point-like…

Mesoscale and Nanoscale Physics · Physics 2017-09-19 Ryan-Rhys Griffiths

During the lifecycle of a virus, viral proteins and other components self-assemble to form a symmetric protein shell called a capsid. This assembly process is subject to multiple competing constraints, including the need to form a…

Subcellular Processes · Quantitative Biology 2016-04-28 Guillermo R. Lazaro , Michael F. Hagan

We examine the role of electrostatic interactions in the assembly of empty spherical viral capsids. The charges on the protein subunits that make the viral capsid mutually interact and are expected to yield electrostatic repulsion acting…

Biological Physics · Physics 2007-12-24 Antonio Siber , Rudolf Podgornik

Cyanobacteria sequester photosynthetic enzymes into microcompartments which facilitate the conversion of carbon dioxide into sugars. Geometric similarities between these structures and self-assembling viral capsids have inspired models that…

Soft Condensed Matter · Physics 2018-07-10 Grant M. Rotskoff , Phillip L. Geissler