功能(生物学)
酶
结构基因组学
蛋白质工程
生物化学
计算生物学
氨基酸
鉴定(生物学)
蛋白质功能
蛋白质设计
化学
活动站点
蛋白质结构
生物
遗传学
基因
植物
作者
Kelly K. Barnsley,Mary Jo Ondrechen
标识
DOI:10.1016/j.sbi.2022.102384
摘要
Understanding the biochemically active amino acids in proteins is a key factor to improve the knowledge of how enzymes work, to predict the function of newly discovered protein structures of unknown function, and to establish design principles for enzyme engineering. Here, we explore recently reported computational chemistry-based methods for the prediction of active amino acids in protein 3D structures, including biochemically important distal residues, and their implications for functional genomics, for enzyme design, and for enhancing understanding of the function of enzymes.
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