相关实验视频

Updated: Jan 17, 2026

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
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Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on: June 20, 2025

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里奇图DTA:一个集成离散里奇曲线的图形神经网络,用于药物向 afinity 预测

Xiangxiang Zheng1, Zhongrong Zhang1, Xiaona Zhang2

  • 1School of Mathematics and Physics, Lanzhou Jiaotong University, 88 West Anning Road, Lanzhou, 730070, Gansu, China; Gansu Center for Fundamental Research in Complex Systems Analysis and Control, Lanzhou Jiaotong University, 88 West Anning Road, Lanzhou, 730070, Gansu, China.

Journal of molecular graphics & modelling
|September 18, 2025
PubMed
概括

里奇-图形DTA是一种新的药物向亲和力预测模型,使用离散曲率和图形神经网络来提高准确性和概括性. 这种方法通过更有效地预测未见的药物和目标的相互作用来增强药物发现.

关键词:
通过冷启动启动.DTA DTA 的意思是什么?福曼曲率是什么意思吉恩吉恩,这是一个很好的选择.

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