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Updated: Jan 7, 2026

Author Spotlight: In Silico Creation and Impact of Carbonylated Amino Acids on Protein Structure and Function
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Author Spotlight: In Silico Creation and Impact of Carbonylated Amino Acids on Protein Structure and Function

Published on: April 26, 2024

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可靠的蛋白质的氧-潜在模拟

Michael Stier1, Johannes Kästner1

  • 1Institute for Theoretical Chemistry, University of Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart, Germany.

Journal of chemical theory and computation
|December 30, 2025
PubMed
概括

使用~500原子量子力学集群模型,可以实现精确的蛋白质氧化还原潜力的预测. 与较大的模型或传统的QM/MM方法相比,这种方法最大限度地减少了错误,为生物电子转移研究提供了可靠的计算工具.

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