DC-Flow: Target-Conditioned Cyclic Peptide Design via Delayed-Coupling Flow Matching
Target-conditioned cyclic peptide design requires coordinating interfacial side chains with macrocyclic closure. Existing end-to-end generators concurrently update geometric and chemical variables from noise, assigning residues to disordered coordinates. Meanwhile, predictor-assisted workflows often get stuck in local traps because they lack feedback in the propose-and-filter stage and ignore 3D structural proposals during sequence search. To overcome the drawbacks of these two paradigms, we propose DC-FLOW, a staged generative framework built around Delayed-Coupling Flow Matching. In principle, DC-FLOW postpones sequence and side-chain activation until a target-conditioned backbone takes...
| Authors | Yitian Wang, Minjie Cheng, Yaning Cui et al. |
|---|---|
| Primary category | cs.LG |
| Published | 11 October 2026 |
| Last updated at source | 11 October 2026 |
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