整合机器学习和量子电路来进行质子亲和力预测

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Updated: May 27, 2025

Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions
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Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions

Published on: January 26, 2024

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Hongni Jin1,2, Kenneth M Merz1,2

  • 1Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, United States.

Journal of chemical theory and computation
|February 17, 2025
PubMed
概括

准确预测质子亲和力 (PA) 对于解释离子运动质谱数据至关重要. 本研究介绍了一种快速机器学习方法和一种混合量子-经典模型,用于在复杂分子中高效地预测PA.

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