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/content/aip/journal/jcp/142/2/10.1063/1.4905670
1.
1.S. Hormoz and M. P. Brenner, Proc. Natl. Acad. Sci. U. S. A. 108, 5193 (2011).
http://dx.doi.org/10.1073/pnas.1014094108
2.
2.J. D. Halverson and A. V. Tkachenko, Phys. Rev. E 87, 062310 (2013).
http://dx.doi.org/10.1103/PhysRevE.87.062310
3.
3.L. O. Hedges, R. V. Mannige, and S. Whitelam, Soft Matter 10, 6404 (2014).
http://dx.doi.org/10.1039/C4SM01021C
4.
4.Z. Zeravcic, V. N. Manoharan, and M. P. Brenner, Proc. Natl. Acad. Sci. U. S. A. 111, 15918 (2014).
http://dx.doi.org/10.1073/pnas.1411765111
5.
5.Y. Ke, L. L. Ong, W. M. Shih, and P. Yin, Science 338, 1177 (2012).
http://dx.doi.org/10.1126/science.1227268
6.
6.A. Reinhardt and D. Frenkel, Phys. Rev. Lett. 112, 238103 (2014).
http://dx.doi.org/10.1103/PhysRevLett.112.238103
7.
7.F. Wang and D. P. Landau, Phys. Rev. Lett. 86, 2050 (2001).
http://dx.doi.org/10.1103/PhysRevLett.86.2050
8.
8.J.-P. Hansen and I. R. McDonald, Theory of Simple Liquids (Academic Press, 2006).
9.
9. To calculate , , and , we perform a biased Monte Carlo calculation using the pre-calculated density of states |h(E, V)| and the acceptance probabilities given in Eq. (1).
10.
10. In lattice simulations with a single copy of each subunit, we define , where NV is the number of clusters with V subunits, and μ(V) ≡ ln{[V(G) + 1 − V]/V(G)} approximates the change in the chemical potential due to monomer depletion.
11.
11.K. H. Fischer and J. A. Hertz, Spin Glasses (Cambridge University Press, 1993), Vol. 1.
12.
12. Assuming ideal polymers, binding reduces the dimensionless rotational entropy of one fragment by ln qc. One fragment loses ln qd of dihedral entropy for a single contact, while further contacts cost 2 ln qd. Although this formula is approximate, Zin/Zid is relatively insensitive to the precise form of the coefficients in Eq. (7).
13.
13.F. J. Martinez-Veracoechea and D. Frenkel, Proc. Natl. Acad. Sci. U. S. A. 108, 10963 (2011).
http://dx.doi.org/10.1073/pnas.1105351108
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/content/aip/journal/jcp/142/2/10.1063/1.4905670
2015-01-09
2016-09-28

Abstract

We present a technique for calculating free-energy profiles for the nucleation of multicomponent structures that contain as many species as building blocks. We find that a key factor is the topology of the graph describing the connectivity of the target assembly. By considering the designed interactions separately from weaker, incidental interactions, our approach yields predictions for the equilibrium yield and nucleation barriers. These predictions are in good agreement with corresponding Monte Carlo simulations. We show that a few fundamental properties of the connectivity graph determine the most prominent features of the assembly thermodynamics. Surprisingly, we find that polydispersity in the strengths of the designed interactions stabilizes intermediate structures and can be used to sculpt the free-energy landscape for self-assembly. Finally, we demonstrate that weak incidental interactions can preclude assembly at equilibrium due to the combinatorial possibilities for incorrect association.

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