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在可变温度下预测和实验NMR化学转变:蛋白质形态动力学的效应

Xu Yi1, Lichirui Zhang1, Richard A Friesner1

  • 1Department of Chemistry, Columbia University, New York, New York 10025, United States.

The journal of physical chemistry letters
|February 21, 2024
PubMed
概括

蛋白质的结构灵活性显著影响NMR化学转移. 对分子动力学模拟的预测转移的平均值改善了对二叶酸还原酶 (DHFR) 实验数据的一致性.

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