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蛋白质-连接体CH-π相互作用:结构信息学,能量功能的发展和对接实施

Yao Xiao1, Robert J Woods1

  • 1Complex Carbohydrate Research Center, University of Georgia, Athens, Georgia 30602, United States.

Journal of chemical theory and computation
|July 26, 2023
PubMed
概括

这项研究引入了一个新的能量函数来建模CH-π相互作用,提高了蛋白质 - 连接体复合体的分子对接精度,特别是那些涉及碳水化合物的复合体.

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