From Dipeptide Systems to Polypeptides: Evolution of Mutual Information

Mostafa Javaheri Moghadam1, Katharina Boguslawski2, Paweł Tecmer2

  • 1Department of Chemistry, University of New Brunswick, 30 Dineen Dr, E3B 5A3 Fredericton, Canada.

ACS Omega
|August 8, 2026
PubMed
Summary

Fragment-wise mutual information (FMI) quantifies interatomic correlations in peptides, offering new insights into protein stability and folding. This quantum information tool enhances molecular modeling by revealing electronic interactions beyond classical methods.

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