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Updated: Jun 23, 2025

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
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Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method

Published on: July 19, 2019

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在使用量子力学/分子力学和机器学习潜能的联合量子力学/分子力学和机器学习潜力的关氨-提氨 (G-T) 不对对对的质子转移反应上,电子和核量子效应

Yujun Tao1, Timothy J Giese1, Darrin M York1

  • 1Laboratory for Biomolecular Simulation Research, Institute for Quantitative Biomedicine and Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, NJ 08854, USA.

Molecules (Basel, Switzerland)
|June 19, 2024
PubMed
概括

通过质子转移形成罕见的关氨酸-丁氨酸 (G-T) DNA 异对. 核量子效应显著降低了G-T共聚的能量障碍,有助于实验数据的解释.

关键词:
错误配对的DNA是错误配对的这就是PIMD的意义.机器学习是机器学习.陶托化过程中的陶托化

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