

Preprint 32/2009
An Atomistic to Continuum Model for Biopolymers Self-Assembled Aggregation
Leonid Berlyand, Maxim V. Fedorov, and Lei Zhang
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Submission date: 14. Jul. 2009 (revised version: August 2009)
Pages: 16
Bibtex
MSC-Numbers: 74, 92, 65
Keywords and phrases: Atomistic to Continuum, Self-Assembled Aggregation, discrete curvature
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Abstract:
We want to address the following problem of hierarchical modeling of the structure of
biopolymer self-assembly, and relate the marcoscale mechanical and geometrical property to
their microscale molecular property, for example, how to link the chirality and the
amphiphilicity of the single amino acid to the shape of their supramolecular
aggregates, or mathematically, how to derive the elastic parameters from the
parameters at the atomistic scale.