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Breaking the Stability-Activity-Selectivity Trilemma in Unspecific Peroxygenase through Computation-Based Cross-Regional Combinatorial Mutagenesis.

ACS synthetic biology - 21 Aug 2026

Gao Ruichen, Ye Fenglin, Deng Zesen, Liu Huayi, Zeng Xuemei, Lou Wenyong, Wu Xiaoling

Abstract excerpt

The dynamic coupling relationship between the distal region and the region adjacent to the active site in enzymes is still poorly understood. The resultant trade-off among stability, catalytic activity, and enantioselectivity remains a big challenge in developing robust enzymes in agrochemistry. Here, FoldX-based global saturation mutagenesis predictions with spatially targeted prioritization of functional...

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Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

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PMID: 42387886
DOI: 10.1021/acssynbio.6c00196

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026.

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