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Updated: Jan 8, 2026

Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA
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EvoZymePro-Cat:一种蛋白质 - 配体 - 感知深度学习框架,用于预测酶功能的突变效应

Ran Xu1, Xinkang Li1, Jianan Sui1

  • 1Centre in Artificial Intelligence Driven Drug Discovery, Faculty of Applied Sciences, Macao Polytechnic University, Macao 999078, China.

ACS synthetic biology
|December 21, 2025
PubMed
概括

EvoZymePro-Cat (EZPro-Cat) 是一个深度学习平台,用于选酶突变物. 它准确地预测了相对的酶活性,改善了酶的发现和定向进化.

关键词:
在 BANLayer 中,您可以使用酵素酶是一种酶.核聚变的表示形式蛋白质工程工程 蛋白质工程

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Ligand Binding Sites

Proteins are dynamic macromolecules that carry out a wide variety of essential processes; however, the activities of most proteins depend on their interactions with other molecules or ions, known as ligands.
Protein-ligand interactions are quite specific; even though numerous potential ligands surround a cellular protein at any given time, only a particular ligand can bind to that protein. Moreover, a ligand binds only to a dedicated area on the surface of the protein, known as the...
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Many proteins’ biological role depends on their interactions with their ligands, small molecules that bind to specific locations on the protein known as ligand-binding sites. Ligand-binding sites are often conserved among homologous proteins as these sites are critical for protein function.
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Allosteric proteins have more than one ligand binding site; the binding of a ligand to any of these sites influences the binding of ligands to the other sites. When a protein is allosteric, its binding sites are called coupled or linked.  In the case of enzymes, the site that binds to the substrate is known as the active site and the other site is known as the regulatory site. When a ligand binds to the regulatory site, this leads to conformational changes in the protein that can influence...
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