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Updated: Jun 21, 2025

Author Spotlight: Exploring Cellular Processes by Modeling Ligands in Cryo-EM Maps
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实现基于[Cu2O2]2+的复合电子结构与部分固定参考空间协议的可靠和高效建模

Matheus Morato F de Moraes1, Paweł Tecmer1

  • 1Institute of Physics, Faculty of Physics, Astronomy, and Informatics, Nicolaus Copernicus University in Toruń, Grudziadzka 5, 87-100 Toruń, Poland. matheusmorat@gmail.com.

Physical chemistry chemical physics : PCCP
|July 10, 2024
PubMed
概括

本研究介绍了一种计算效率高的部分固定参考空间 (PFRS) 协议,用于模拟复杂的[Cu2O2]2+电子结构. 这种方法准确地预测电子性质,并指导具有特定氧化能力的新配体的设计.

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