Calculation of the heat capacity of a peptide unfolding transition

A peptide unfolding trajectory used to connect molecular fluctuations with the heat-capacity peak.

The trajectory illustrates peptide unfolding sampled in the computer laboratory used to connect molecular fluctuations with the heat-capacity peak.

Peptide unfolding during a molecular-dynamics trajectory used for calculation of the unfolding heat-capacity transition.

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Reference

Grøndahl LB, Schuhmann F, Bruhn D, Dubey V, Solov’yov IA, Khandelia H. A Computer Laboratory for the Calculation of the Heat Capacity of a Peptide Unfolding Transition. The Biophysicist. 2024;5(1):67–80. DOI: 10.35459/tbp.2024.000251