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Updated: Feb 9, 2026

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描述 PROTAC 系统与终点绑定自由能量计算的合作效应

Kexin Xu1, Zhe Wang2,3, Sutong Xiang1

  • 1Department of Medicinal Chemistry, China Pharmaceutical University, Nanjing 210009 Jiangsu, P. R. China.

Journal of chemical information and modeling
|October 3, 2024
PubMed
概括

计算方法现在可以预测蛋白质溶解向金马 (PROTACs) 的合作性. 分子力学/一般化天生的表面积 (MM/GBSA) 有效地表征了 PROTAC 系统中的稳定和效应.

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