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Updated: Jun 27, 2025

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Sunita Muduli1, Soumyajit Karmakar1, Sabyashachi Mishra1

  • 1Department of Chemistry, Indian Institute of Technology Kharagpur, Kharagpur 721302, India.

Journal of chemical information and modeling
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PubMed
概括

在各种氧化还原条件下模拟了二氨基胺酸表皮酶 (DapF) 酶动态. 了解这些构造变化对于开发针对DapF.的新抗微生物耐药性治疗方法至关重要.

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Cooperative allosteric transitions can occur in multimeric proteins, where each subunit of the protein has its own ligand-binding site. When a ligand binds to any of these subunits, it triggers a conformational change that affects the binding sites in the other subunits; this can change the affinity of the other sites for their respective ligands. The ability of the protein to change the shape of its binding site is attributed to the presence of a mix of flexible and stable segments in the...
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