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Updated: Jun 26, 2025

Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions
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Published on: January 26, 2024

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揭示影响二异构化反应坐标的原子间距离:一种可解释的深度学习方法

Kazushi Okada1, Takuma Kikutsuji1, Kei-Ichi Okazaki2,3

  • 1Division of Chemical Engineering, Department of Materials Engineering Science, Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531, Japan.

The Journal of chemical physics
|May 15, 2024
PubMed
概括

这项研究表明,可以使用原子间距离绘制氨酸二异构,简化分子动力学. 这些距离有效地代表了自由能源格局,区分稳定状态并解释了能量屏障的穿越.

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Crossed Aldol Reaction Using Strong Bases: Directed Aldol Reaction

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