Determinism and boundedness of self-assembling structures.

Self-assembly processes are widespread in nature and lie at the heart of many biological and physical phenomena. The characteristics of self-assembly building blocks determine the structures that they form. Two crucial properties are the determinism and boundedness of the self-assembly. The former tells us whether the same set of building blocks always generates the same structure, and the latter whether it grows indefinitely. These properties are highly relevant in the context of protein structures, as the difference between deterministic protein self-assembly and nondeterministic protein aggregation is central to a number of diseases. Here we introduce a graph theoretical approach that can determine the determinism and boundedness for several geometries and dimensionalities of self-assembly more accurately and quickly than conventional methods. We apply this methodology to a previously studied lattice self-assembly model and discuss generalizations to a wide range of other self-assembling systems.

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