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Updated: Jun 9, 2025

Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules
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阿尔法遇到了De Novo药物设计:在多目标分子生成模型中利用结构蛋白信息

Andrius Bernatavicius1,2, Martin Šícho1,3, Antonius P A Janssen1,4

  • 1Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55, 2333CC Leiden, The Netherlands.

Journal of chemical information and modeling
|October 30, 2024
PubMed
概括

PCMol是一种新的深度学习模型,通过使用AlphaFold2蛋白质结构来产生新型药物化合物. 这种方法可以增强各种蛋白质标的虚拟查和药物发现,即使数据有限.

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