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Updated: Apr 10, 2026

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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一个可转移和强大的计算框架,用于A类GPCR激活自由能量

Simone Aureli1,2,3, Nicola Piasentin1,2, Thorben Fröhlking1,2,3

  • 1School of Pharmaceutical Sciences, University of Geneva, Rue Michel-Servet 1, CH-1206 Geneva, CH, Switzerland.

The journal of physical chemistry letters
|March 3, 2026
PubMed
概括

研究人员开发了一种简化方法来模拟G蛋白合受体 (GPCR) 激活. 这种方法简化了对分子模拟的集体变量 (CV) 的定义,使得可靠的自由能量计算成为可能,并揭示了对受体激活机制的新见解.

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