title: Simulations show that virus assembly and budding are facilitated by membrane microdomains.
abstract: 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 applications. To this end, we have performed molecular dynamics simulations on a coarse-grained model that describes virus assembly on a fluctuating lipid membrane. Our simulations show that the membrane can promote association of adsorbed subunits through dimensional reduction, but it also introduces thermodynamic and kinetic effects that can inhibit complete assembly. We find several mechanisms by which membrane microdomains, such as lipid rafts, reduce these effects, and thus, enhance assembly. We show how these predicted mechanisms can be experimentally tested. Furthermore, the simulations demonstrate that assembly and budding depend crucially on the system dynamics via multiple timescales related to membrane deformation, protein diffusion, association, and adsorption onto the membrane.
authors: Departamento de Física Teórica de la Materia Condensada, Universidad Autónoma de Madrid, Madrid, España.
authors: Teresa
authors: T
authors: Ruiz-Herrero
authors: Martin Fisher School of Physics, Brandeis University, Waltham, Massachusetts. Electronic address: hagan@brandeis.edu.
authors: Michael F
authors: MF
authors: Hagan
mesh_terms: D000327:Adsorption; D001696:Biomechanical Phenomena; D002213:Capsid / Q000378:metabolism; D021962:Membrane Microdomains / Q000502:physiology*; D056004:Molecular Dynamics Simulation; D021122:Protein Subunits / Q000378:metabolism; D013816:Thermodynamics; D013997:Time Factors; D019065:Virus Assembly; D057074:Virus Release
chemical_list: D021122:Protein Subunits
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