BiophysicsJournal of Chemical Theory and ComputationPeer-reviewed
Mechanistic Dissection of Conformational Transition of Bicyclic Peptide via Molecular Modeling and Deep Learning
Ta I Hung, Raghu Venkatesan, Chia‐en A. Chang
This study introduces a deep learning model to analyze conformational transitions in cyclic peptides, revealing key residues and nonlinear torsional motions that govern structural changes.