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Updated: Jul 8, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Published on: April 8, 2020

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通过使用元动力学/FMO3方法对芳香氨基酸与[Cp*Rh(H2O) 3]2+的结合进行计算洞察

Roberto Paciotti1, Alessandro Marrone2

  • 1Department of Pharmacy, Università "G. D'Annunzio" Di Chieti-Pescara, I-66100, Chieti, Italy. r.paciotti@unich.it.

Journal of molecular modeling
|December 11, 2023
PubMed
概括

Rh (III) 复合体显示出药用前景. 计算研究显示[Cp*Rh(H2O) 3 2+复合物因其基组而选择性地向氨酸残留物,使得新的药物设计能够用于酸化等过程.

关键词:
在FMO3中,FMO3是FMO3的第三个成员.在MTD中,最常见的时间是MTD.超动力学是什么意思?超动力学是什么意思?基于金属的药物 基于金属的药物配对相互作用的能量是对的.[Cp*Rh]2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+2+3+3+3+3+3+3+3+3+3+4+3+3+3+4+3+3+3+4+3+3+3+4+3+3+3+4+3+3+3+4+3+3+3+3+3+3+4+3

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