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Updated: May 19, 2026

Formation of Ordered Biomolecular Structures by the Self-assembly of Short Peptides
Published on: November 21, 2013
Quantitative description of the self-assembly of patchy particles into chains and rings
José Maria Tavares1, Lorenzo Rovigatti, Francesco Sciortino
1Instituto Superior de Engenharia de Lisboa, Rua Conselheiro Emídio Navarro 1, P-1950-062 Lisbon, Portugal.
Abstract:
We numerically study a simple fluid composed of particles having a hard-core repulsion complemented by two patchy attractive sites on the particle poles. An appropriate choice of the patch angular width allows for the formation of ring structures which, at low temperatures and low densities, compete with the growth of linear aggregates. The simplicity of the model makes it possible to compare simulation results and theoretical predictions based on the Wertheim perturbation theory, specialized to the case in which ring formation is allowed. Such a comparison offers a unique framework for establishing the quality of the analytic predictions. We find that the Wertheim theory describes remarkably well the simulation results.
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