Thermal boundary conductance at the myoglobin–water interface: Heme cooling mechanism in light and heavy water environments

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Discussion

Analysis reveals energy dissipation rate in myoglobin with heavy water differs from light water, indicating a complex cooling mechanism.

Energy dissipation rate is slower in heavier water, which affects heme cooling in myoglobin.
A molecular dynamics simulation was conducted to assess vibrational energy relaxation and solvation effects.
Radial distribution functions were utilized to characterize the structure surrounding heme side chains in the water interfaces.
Findings support ongoing research into energy dissipation mechanisms at the protein–water interface.

Yoshimura et al. (2025) studied this question.

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