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Updated: Jan 8, 2026

Modeling an Enzyme Active Site using Molecular Visualization Freeware
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VN-EGNN:E(3)-和SE(3)-等价图形神经网络与虚拟节点增强蛋白质结合部位识别

Florian Sestak1, Lisa Schneckenreiter2, Johannes Brandstetter3,4

  • 1ELLIS Unit Linz and LIT AI Lab, Institute for Machine Learning, Johannes Kepler University Linz, Altenberger Straße 69, Linz, 4040, Austria. sestak@ml.jku.at.

Journal of cheminformatics
|December 16, 2025
PubMed
概括

我们开发了VN-EGNN,这是一种新的图形神经网络方法,用于识别蛋白质结合部位. 这种方法显著提高了药物发现的准确性和理解蛋白质-连接体相互作用.

关键词:
绑定网站 绑定网站同等差异的等价值.图表神经网络的神经网络传递信息的传递蛋白质蛋白质是一种蛋白质.

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