Unsupervised learning elucidates the interplay between conformational flexibility and aggregation in synergistic antimicrobial peptides
Miruna Serian, A. James Mason, Christian D. Lorenz
This study uses unsupervised learning and molecular dynamics to show that mixing two AMPs reduces their conformational diversity and alters aggregation behavior, revealing how synergy influences their structural dynamics.
Nanoscale · Jan 1, 2024Peer-reviewedBiophysics