Complex enzyme active site scaffolding by iteratively detuned catalytic guidance
Tingli Qian, Weijin Wang, Shilong Gao, Aiko Muraishi, Beibei Zhao, Davi Nakajima An, Fanglei Xue, Max Kazman, Johnny Mendoza, Hannah Nguyen, Asim Bera, Alex Kang, Avery Yang, Wenzhao Dai, Jia Liang, , David A. Baker
CaGE alternates guided structure prediction with sequence redesign, fading guidance each cycle, so sequences recover complex catalytic sites unaided; designed nonheme-iron and PLP-dependent enzymes were active.
bioRxiv · Oct 16, 2026 · PreprintBioengineering✦ In-depth digest