Dynamic Electronic Structure Fluctuations in the De Novo Peptide ACC-Dimer Revealed by First-Principles Theory and Machine Learning. - Peter Mastracco; Luke Nambi Mohanam; Giacomo Nagaro; Sangram Prusty; Younghoon Oh; Ruqian Wu; Qiang Cui; Allon I. Hochbaum; Stacy M. Copp; Sahar Sharifzadeh (J. Chem. Inf. Model., 2025)