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Updated: Jan 12, 2026

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一个Python教程用于化学和生物分子的3DRISM溶解计算

Peter C Swanson1, Siqin Cao1, Xuhui Huang1

  • 1Department of Chemistry, Theoretical Chemistry Institute, University of Wisconsin-Madison, Madison, Wisconsin 53706, USA.

The Journal of chemical physics
|November 4, 2025
PubMed
概括

一个新的Python包,EPIPY,简化了复杂的三维参考交互站点模型 (3DRISM) 解析计算. 该工具提高了分析化学和生物系统的效率,使先进的溶解建模更容易获得.

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