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Updated: Jun 27, 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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抑制剂与BRD4和BRD9的结合机制通过多个独立分子动力学模拟和深度学习来解码

Jian Wang1, Wanchun Yang1, Lu Zhao1

  • 1School of Science, Shandong Jiaotong University, Jinan 250357, China.

Molecules (Basel, Switzerland)
|April 27, 2024
PubMed
概括

odomain 4 和 9 (BRD4 和 BRD9) 抑制剂对 BRD9 的结合比 BRD4 强,主要是通过范德瓦尔斯力. 本研究确定了开发向疗法的关键结合点.

关键词:
这就是BRD4D.这就是BRD9的原因.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

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