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Updated: Jun 4, 2025

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添加式CHARMM力场用于氨酸和叶酸盐

Elsa Balduzzi1, Wenlu Yin1, Jean-Christophe Lambry1

  • 1Laboratoire d'Optique et Biosciences (CNRS UMR7645, INSERM U1182), Ecole Polytechnique, Institut polytechnique de Paris, Palaiseau, France.

Journal of computational chemistry
|December 22, 2024
PubMed
概括

这项研究开发了叶酸的新分子力学参数,对于单碳代谢至关重要. 优化的CHARMM36力场模型准确地模拟了不同氧化还原状态下的叶酸-蛋白相互作用.

关键词:
在CFFGenFF中使用.迷人的魅力叶酸是一种叶酸.实力场 实力场 实力场 实力场分子动力学分子动力学这就是Pterin pterin的意思.这是一种四水生物素 (tetrahydrobiopterin).甲基四基酸盐 (tetrahydrofolate) 是一种含有四基酸盐的化合物.

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