Laboratory of Organic Chemistry, ETH Zurich, Zurich CH-8093, Switzerland.
Curr Opin Chem Biol. 2013 Apr;17(2):221-8. doi: 10.1016/j.cbpa.2013.02.012. Epub 2013 Mar 14.
Computational enzyme design has emerged as a promising tool for generating made-to-order biocatalysts. In addition to improving the reliability of the design cycle, current efforts in this area are focusing on expanding the set of catalyzed reactions and investigating the structure and mechanism of individual designs. Although the activities of de novo enzymes are typically low, they can be significantly increased by directed evolution. Analysis of their evolutionary trajectories provides valuable feedback for the design algorithms and can enhance our understanding of natural protein evolution.
计算酶设计已成为生成定制生物催化剂的一种有前途的工具。除了提高设计周期的可靠性外，该领域目前的工作还侧重于扩大催化反应的范围，并研究单个设计的结构和机制。虽然从头酶的活性通常较低，但通过定向进化可以显著提高它们的活性。对其进化轨迹的分析为设计算法提供了有价值的反馈，并且可以增强我们对自然蛋白质进化的理解。
