Microcanonical Analyses of Peptide Aggregation Processes

Abstract

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.

5 pages, 2 figures

References in corpus (1)

• Continuous phase transitions with a convex dip in the microcanonical entropy

Cited by in corpus (6)

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• Microcanonical Approach to the Simulation of First-Order Phase Transitions
• Thermodynamics of Peptide Aggregation Processes. An Analysis from Perspectives of Three Statistical Ensembles
• Microcanonical versus Canonical Analysis of Protein Folding
• Thickness-dependent secondary structure formation of tubelike polymers