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Updated: Jul 9, 2025

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PDBe CCDUtils:基于RDKit的工具包,用于处理和分析蛋白质数据库中的小分子

Ibrahim Roshan Kunnakkattu1, Preeti Choudhary1, Lukas Pravda1

  • 1Protein Data Bank in Europe, European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Genome Campus, Hinxton, Cambridge, CB10 1SD, UK.

Journal of cheminformatics
|December 2, 2023
PubMed
概括

PDBe CCDUtils简化了从蛋白质数据库 (PDB) 中分析小分子. 该工具包为处理PDB数据提供化学信息学工具,帮助结构生物学和生物信息学研究.

关键词:
一个鸟,一个鸟.这就是为什么CCD是CCD,CCD是CCD.在CLC中,CLC是CLC.具有共价连接的组件连接物连接物 连接物美国PDB PDB在 PDBx/mmCIF 中.在PRD中,我们可以使用PRD.蛋白质结构 蛋白质结构在这里,Python是Python.在RDKitit中使用.

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An organism can have thousands of different proteins, and these proteins must cooperate to ensure the health of an organism. Proteins bind to other proteins and form complexes to carry out their functions. Many proteins interact with multiple other proteins creating a complex network of protein interactions.
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