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Updated: May 25, 2025

Covalent Fragment Screening Using the Quantitative Irreversible Tethering Assay
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Covalent Fragment Screening Using the Quantitative Irreversible Tethering Assay

Published on: February 28, 2025

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在基准测试非共价相互作用的另一角度

Vladimir Fishman1, Michał Lesiuk2, Jan M L Martin1

  • 1Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, 7610001 Reḥovot, Israel.

Journal of chemical theory and computation
|February 26, 2025
PubMed
概括

像CCSDT这样的合集群方法是非共价相互作用的标准. 这项研究提出了 π 堆叠系统的线性相关性能量演变,为电子相关性方法提供了一个新的探测器.

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