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在恒定的pH值下分子动力学和还原潜力:适用于cytochrome c(3)

Miguel Machuqueiro1, António M Baptista

  • 1Instituto de Tecnologia Química e Biológica, Universidade Nova de Lisboa, Av. da República, EAN, 2780-157 Oeiras, Portugal.

Journal of the American Chemical Society
|August 19, 2009
PubMed
概括

我们开发了一种用于在恒定的pH值和氧化还原潜力下进行分子动力学 (MD) 模拟的新方法. 这种方法提高了氧化还原定位的准确性,特别是在使用高介电常数用于蛋白质区域时.

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