Self-assembly is a ubiquitous process in synthetic and biological systems, broadly defined
as the spontaneous organization of multiple subunits (macromolecules, particles, etc.) into …

The HIV genome materials are encaged by a proteinaceous shell called the capsid,
constructed from∼ 1000–1500 copies of the capsid proteins. Because its stability and …

Human immunodeficiency virus type 1 (HIV-1) infection is highly dependent on its capsid.
The capsid is a large container, made of∼ 1,300 proteins with altogether 4 million atoms …

Hepatitis B virus (HBV) is an endemic, chronic virus that leads to 800000 deaths per year.
Central to the HBV lifecycle, the viral core has a protein capsid assembled from many copies …

The survival of viruses partly relies on their ability to self-assemble inside host cells.
Although coarse-grained simulations have identified different pathways leading to …

Computational modeling of assembly is challenging for many systems, because their
timescales can vastly exceed those accessible to simulations. This article describes the …

Liquid condensate droplets with distinct compositions of proteins and nucleic acids are
widespread in biological cells. While it is known that such droplets, or compartments, can …

We use computational modeling to investigate the assembly thermodynamics of a particle-
based model for geometrically frustrated assembly, in which the local packing geometry of …

This article describes a theoretical and computational study of the dynamical assembly of a
protein shell around a complex consisting of many cargo molecules and long, flexible …

HIV capsid proteins (CAs) may self-assemble into a variety of shapes under in vivo and in
vitro conditions. Here, we employed simulations based on a residue-level coarse-grained …