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. 2014 Oct 31;9(10):e111233. doi: 10.1371/journal.pone.0111233

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© 2014 Zenk, Schulman

This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are properly credited.

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The possible set of reaction pathways govern assembly outcome under rearrangement-limited conditions, whereas thermodynamically favorable pathways govern assembly outcome in the assembly funnel regime. (a) Conformational entropy () of the system under different assembly conditions as a function of assembly time, . (b) Reference energy distributions of a 3×3 square grid complex based on thermodynamics and assembly configuration. Color spectrum indicates the number of bonds in an assembly. (c) Partition of energies at different times during self-assembly in the assembly funnel regime at (green box), rearrangement-limited conditions at (blue box), and during an anneal (black box). Over the course of an anneal, transitions from -6 to 6, spending at 100 different linearly decreasing isothermal conditions. Values at the top right are complex yields. Inset plots show detail. Error bars <1%.

Inline graphic — The possible set of reaction pathways govern assembly outcome under rearrangement-limited conditions, whereas thermodynamically favorable pathways govern assembly outcome in the assembly funnel regime. (a) Conformational entropy () of the system under different assembly conditions as a function of assembly time, . (b) Reference energy distributions of a 3×3 square grid complex based on thermodynamics and assembly configuration. Color spectrum indicates the number of bonds in an assembly. (c) Partition of energies at different times during self-assembly in the assembly funnel regime at (green box), rearrangement-limited conditions at (blue box), and during an anneal (black box). Over the course of an anneal, transitions from -6 to 6, spending at 100 different linearly decreasing isothermal conditions. Values at the top right are complex yields. Inset plots show detail. Error bars <1%.