470186 Thermodynamic Perturbation Theory and Property Network for Coarse Grain DNA Model
The residual Helmholtz free energy of the resulting aqueous DNA system including counterions is derived, and used to obtain expressions for a variety of properties including osmotic coefficient and viscosity of the solution and diffusivity of DNA in water as functions of DNA fragment length. Several illustrations are given to highlight key points, and suggestions are made on how the model can be improved by considering heteronuclear segments and bond angle dependence
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Figure 1. Homonuclear hard-sphere branched chain coarse grained model of DNA including dispersion, electrostatic interactions and hydrogen bonding.