Microcanonical Analyses of Peptide Aggregation Processes

Details Microcanonical Analyses of Peptide Aggregation Processes Microcanonical Analyses of Peptide Aggregation Processes

2007-10-24

arxiv.org/abs/0710.4575v1

Phys. Rev. Lett. 97, 218103(1-4) (2006)

Physics

Condensed Matter

Soft Condensed Matter

5 pages, 2 figures

Scientific paper

10.1103/PhysRevLett.97.218103

We propose the use of microcanonical analyses for numerical studies of peptide aggregation transitions. Performing multicanonical Monte Carlo simulations of a simple hydrophobic-polar continuum model for interacting heteropolymers of finite length, we find that the microcanonical entropy behaves convex in the transition region, leading to a negative microcanonical specific heat. As this effect is also seen in first-order-like transitions of other finite systems, our results provide clear evidence for recent hints that the characterisation of phase separation in first-order-like transitions of finite systems profits from this microcanonical view.

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