Lucas P. Merlicek, Jannik Neumann, Abbie Lear, Vivian Degiorgi, Moor M. de Waal, Tudor-Stefan Cotet, Prof. Adrian J. Mulholland, Dr. H. Adrian Bunzel
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引用次数: 0
摘要
酶是强大的催化剂。不幸的是，计算酶设计仍然具有挑战性。在他们的研究文章中，H. Adrian Bunzel和同事开发了人工智能。Zymes (e202507031)，一个模块化平台，通过进化设计集成了最先进的计算工具。人工智能。酶通过优化生物催化特性，如过渡态结合、蛋白质稳定性和静电催化来增强酶。其模块化架构将促进新兴设计算法的集成，并能够解决各种设计挑战。
Front Cover: AI.zymes – A Modular Platform for Evolutionary Enzyme Design (Angew. Chem. 27/2025)
Enzymes are powerful catalysts. Unfortunately, computational enzyme design remains challenging. In their Research Article, H. Adrian Bunzel and co-workers develop AI.zymes (e202507031), a modular platform integrating state-of-the-art computational tools through evolutionary design. AI.zymes boost enzymes by optimizing biocatalytic features such as transition-state binding, protein stability, and electrostatic catalysis. Its modular architecture will facilitate the integration of emerging design algorithms and enable addressing diverse design challenges.
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