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Updated: Jul 5, 2025

Paramagnetic Relaxation Enhancement for Detecting and Characterizing Self-Associations of Intrinsically Disordered Proteins
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旋转适应的外部承包的多引用配置交互方法基于选择的参考配置的交互方法

Yinxuan Song1, Wei Huang1, Chungen Liu1

  • 1School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210023, People's Republic of China.

The journal of physical chemistry. A
|January 25, 2024
PubMed
概括

对于大型系统,选择的配置交互 (sCI) 方法得到了改进. 使用配置状态函数和先进算法的新方法提高了量子化学计算中的动态相关性效率和准确性.

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