Ion-dependent DNA Configuration in Bacteriophage Capsids

摘要: Bacteriophages densely pack their long dsDNA genome inside a protein capsid. The conformation of the viral capsid is consistent with hexagonal liquid crystalline structure. Experiments have confirmed that details packing depend on electrochemistry and its environment. In this work, we propose biophysical model quantifies relationship between DNA configurations bacteriophage capsids types concentrations ions present in biological system. We introduce an expression for free energy which combines electrostatic contributions from bending individual segments Lennard-Jones-type interactions these segments. equilibrium points solve partial differential equation defines distributions develop computational approach allows us to simulate much larger systems than what currently possible using existing simulations, typically done at molecular level. particular, are able estimate repulsion as well full solution, both outside numerical results show good agreement experiments dynamics simulations small capsids.