Work

Efficient Microcanonical Histogram Analysis and Application to Peptide Aggregation

Year: 2025
Type: article
Abstract: A novel approach designed to directly estimate microcanonical quantities from energy histograms is proposed, which enables the immediate systematic identification and classification of phase transitions in physical systems of any size by means of the recently introduced generalized microcanonical inflection-point analysis method. The application to the aggregation problem of GNNQQNY heptapeptides, for which the entire transition sequence is revealed, shows the power of this promising method.
Language: English
Open Access status: green
OpenAlex ID: W4414384146
FWCI: 0.323
Cites: 32
Cited by: 1
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