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Updated: Mar 1, 2026

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
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Published on: June 20, 2025

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基于结构的共价药物发现计算和人工智能驱动的生态系统.

Shi Li1, Hongyan Du1, Xujun Zhang1

  • 1College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China.

Accounts of chemical research
|February 27, 2026
PubMed
概括

这项研究介绍了用于共价药物发现的综合计算生态系统,利用人工智能 (AI) 和深度学习 (DL) 来加速新疗法的开发. 该系统连接数据库,预测模型和实验反,以实现高效的药物设计.

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