相关实验视频

Updated: Jan 18, 2026

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

Published on: October 26, 2015

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通过多个独立的分子动力学模拟和深度学习,揭示酸化诱导对抑制剂-CDK2的影响

W Zhang1,2,3, G Xu1,2,3, X Li1,2,3

  • 1Center for Medical Artificial Intelligence, Shandong University of Traditional Chinese Medicine, Qingdao, China.

SAR and QSAR in environmental research
|September 10, 2025
PubMed
概括

这项研究揭示了酸化如何使用分子动力学和深度学习影响CDK2活性和抑制剂结合. 结果确定了关键区域和机制,有助于设计向癌症疗法.

关键词:
在CDK2中使用CDK2.循环运动 循环运动有约束力的自由能源.深度学习是一种深度学习.分子动力学模拟,分子动力学模拟酸化的方法是:光化.

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