Directed evolution of stereo‐, regio‐, and chemoselective enzymes constitutes a unique way
to generate biocatalysts for synthetically interesting transformations in organic chemistry and …

The term B-factor, sometimes called the Debye–Waller factor, temperature factor, or atomic
displacement parameter, is used in protein crystallography to describe the attenuation of X …

Catalysis has a central role in organic synthetic methodology, especially in stereoselective
reactions. In many reactions, enantioselectivity is made possible through the use of chiral …

The free energy landscape concept that describes enzymes as an ensemble of differently
populated conformational sub-states in dynamic equilibrium is key for evaluating enzyme …

Cytochrome P450 monooxygenases play a crucial role in the biosynthesis of many natural
products and in the human metabolism of numerous pharmaceuticals. This has inspired …

Alcohol dehydrogenases (ADHs) have become important catalysts for stereoselective
oxidation and reduction reactions of alcohols, aldehydes and ketones. The aim of this …

Steric hindrance modification-based pocket reshaping is an effective approach for enzyme–
substrate acceptance evolution. However, previous studies were limited to using the …

Abstract l‐threonine aldolase (LTA) catalyzes C− C bond synthesis with moderate
diastereoselectivity. In this study, with LTA from Cellulosilyticum sp (CpLTA) as an object, a …

The computational study of enantioselective reactions is a challenging task that requires
high accuracy, as very small energy differences have to be reproduced. Quantum chemical …

定向进化通过建立突变体文库与高通量筛选方法, 快速提升蛋白的特定性质,
是目前蛋白质工程最为常用的蛋白质设计改造策略. 近十年随着计算机运算能力大幅提升以及 …