Open access
Jul 2026
From Dipeptide Systems to Polypeptides: Evolution of Mutual Information
Understanding the electronic structure of amino acids is crucial to understanding protein stability, folding mechanisms, and molecular interactions. In this study, we introduce fragment-wise mutual information (FMI) as a quantum information-based tool to quantify interatomic correlations in peptides. By extending mutua...
Mostafa Javaheri Moghadam, Katharina Boguslawski, P. Tecmer et al.
· ACS Omega · 0 citations