Isolation of structural constraints by ensemble-conditioned protein sequence design
Richard W. Shuai, Ling Zhou, Gina El Nesr, Jessica Lin, Tianyu Lu, Irimpan I. Mathews, Subhang Bhatti, Justine Yuan, Petr Kouba, Po‐Ssu Huang
This paper introduces Caliby, a sequence design method that conditions on structural ensembles to improve designability while reducing native sequence recovery.
bioRxiv · Sep 30, 2025 · PreprintBioengineering