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Updated: Jun 29, 2025

Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules
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Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules

Published on: July 25, 2013

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推断与AlphaFold预测结构的分子抑制功效

Pedro F Oliveira1, Rita C Guedes2, Andre O Falcao3

  • 1Lasige, Faculdade de Ciências, Universidade de Lisboa, 1749-016 Lisboa, Portugal.

Scientific reports
|April 8, 2024
PubMed
概括

这项研究引入了一种新的机器学习方法,集成AlphaFold蛋白质结构,用于预测药物向相互作用,包括新向. 该方法表现出与现有技术相当的性能,为药物发现提供了可扩展的解决方案.

关键词:
在 silico 药物发现中.机器学习 机器学习蛋白质结构 蛋白质结构蛋白质化学计量学是一种蛋白质化学计量学.定量结构-活动关系建模 (QSAR)基于结构的虚拟选.

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