MuCO: Generative Peptide Cyclization Empowered by Multi-stage Conformation Optimization

ArXi:2602.11189v2 Announce Type: replace-cross Modeling peptide cyclization is critical for the virtual screening of candidate peptides with desirable physical and pharmaceutical properties. This task is challenging because a cyclic peptide often exhibits diverse, ring-shaped conformations, which cannot be well captured by deterministic prediction models derived from linear peptide folding.