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Computational design of metalloproteases

Nature, Published online: 14 October 2026; doi:10.1038/s41586-026-11167-2

RFdiffusion methods are used to de novo design proteins with water-activating zinc-based active sites adjacent to a peptide substrate binding pocket, yielding highly active, programmable proteases with potential applications in therapeutics, biotechnology and bioremediation.

Machine learning driven design of polymer dielectrics for high temperature capacitive energy storage

Energy Environ. Sci., 2026, Advance Article
DOI: 10.1039/D6EE01953F, Paper
Dongduan Liu, Ruojie Cheng, Qiao Li, Feng Wang, Yongqiu Li, Hongxiao Yang, Mingfeng Shen, Qian Zhou, Jinliang He, Qi Li, Chao Yuan
A machine learning-driven high-throughput screening framework for discovering high-performance high-temperature energy storage dielectric materials.
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