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Updated: Jul 28, 2025

Investigating Protein Sequence-structure-dynamics Relationships with Bio3D-web
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Published on: July 16, 2017

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3DMolMS:从3D分子构造中预测双重质谱

Yuhui Hong1, Sujun Li1,2, Christopher J Welch3

  • 1Luddy School of Informatics, Computing, and Engineering, Indiana University Bloomington, Bloomington, IN 47408, United States.

Bioinformatics (Oxford, England)
|May 30, 2023
PubMed
概括

我们开发了用于质谱预测的3D分子网络 (3DMolMS),这是一个深度学习模型,可以从3D结构中预测复合MS/MS光谱. 这有助于自动化化合物识别,特别是对于新型分子.

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