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扩展的元动力学协议,用于将联体的自由能量与A类G蛋白合受体结合/解结合

Jacqueline C Calderón1, Eva Plut2, Max Keller3

  • 1Computer-Chemistry-Center, Department of Chemistry and Pharmacy, Friedrich-Alexander-University Erlangen-Nuernberg, Naegelsbachstr. 25, Erlangen 91052, Germany.

Journal of chemical information and modeling
|December 27, 2023
PubMed
概括

一个新的元动力学协议准确地模拟了配体与G蛋白结合受体 (GPCRs) 的结合. 这种方法增强了对各种A类GPCRs的受体相互作用的理解.

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