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Updated: May 10, 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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Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors

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DINC-ensemble:一个网络服务器,用于逐步将大型连接体对接到受体构造组合

Anja Conev1, Jing Chen2, Lydia E Kavraki1

  • 1Computer Science Department, Rice University, 6100 Main Street, Houston 77005, TX, USA.

Journal of molecular biology
|April 23, 2025
PubMed
概括

DINC-Ensemble通过模拟灵活的蛋白质 - 配体相互作用来增强药物发现. 它使用多个受体构造来预测最好的结合姿势,并识别连接体诱导的构造变化.

关键词:
符合性选择,选择.整体对接对接组合对接分子对接网络服务器.蛋白

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