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Updated: Jun 12, 2025

Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors
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质量胜过数量:如何在使用对接来重新利用时获得最佳结果.

Lenin Domínguez-Ramírez1, Maricruz Anaya-Ruiz2, Paulina Cortés-Hernández1

  • 1Computational Biochemistry Laboratory, Centro de Investigación Biomédica de Oriente (CIBIOR), Instituto Mexicano del Seguro Social (IMSS), Atlixco, Mexico.

Frontiers in bioinformatics
|June 10, 2025
PubMed
概括

评估了分子对接程序,以识别候选药物. 使用卷积神经网络 (CNN) 评分的GNINA在对基化酶5A (PDE5A) 的已知配体进行排名方面表现出色,提高了药物发现的准确性.

关键词:
自动锁定Vina的自动锁定码头6 码头6 是一个码头.格尼纳 (Gnina) 格尼纳 (Gnina) 是一个国家.美国UCSF ZINC公司卷积神经网络是一种卷积神经网络.停靠的对接方式药物重用是为了改变药物的用途.虚拟选 虚拟选 虚拟选

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