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Updated: Jun 6, 2025

Author Spotlight: Advancing Cell Membrane Biophysics - Exploring Interactions and Challenges Through Experimental and Computational Approaches
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Author Spotlight: Advancing Cell Membrane Biophysics - Exploring Interactions and Challenges Through Experimental and Computational Approaches

Published on: September 1, 2023

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平衡组1 单原子离子-极性化合物相互作用在可极化德鲁德力场:在蛋白质和核酸系统中的应用

Yiling Nan1, Prabin Baral1, Asuka A Orr1

  • 1University of Maryland Computer-Aided Drug Design Center, Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, Baltimore, Maryland 21201, United States.

The journal of physical chemistry. B
|December 3, 2024
PubMed
概括

这项研究改进了与生物分子相互作用的离子的分子动力学 (MD) 力场. 新的参数提高了模拟蛋白质和DNA周围离子行为的准确性,这对于理解生物系统至关重要.

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