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Updated: Sep 18, 2025

Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions
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Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions

Published on: January 26, 2024

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生物Brigit,一种混合机器学习和基于知识的方法来建模蛋白质中的金属通路:应用于二铜氨酶

Raúl Fernández-Díaz1, Lorena Roldán-Martín1, Mariona Sodupe1

  • 1Insilichem, Departament de Química, Universitat Autònoma de Barcelona, Cerdanyola-del-Vallés, Barcelona 08193, Spain.

ACS omega
|June 23, 2025
PubMed
概括

研究人员开发了BioBrigit,一种新的计算方法,用于绘制蛋白质中的金属离子路径. 这种方法揭示了对于理解金属蛋白机制和设计新的生物催化剂至关重要的短暂结合点.

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相关概念视频

Ligand Binding Sites02:40

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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Gene Families

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