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Updated: Sep 12, 2025

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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IDR解码器:一种机器学习方法,用于合理的药物发现,朝着内在无序的区域进行

Clara Shionyu-Mitusyama1, Satoshi Ohmori1, Subaru Hirata2

  • 1Department of Bioscience, Nagahama Institute of Bio-Science and Technology, Nagahama, Shiga, Japan.

Frontiers in bioinformatics
|August 4, 2025
PubMed
概括

本研究介绍了IDRdecoder,这是一种机器学习工具,可以预测药物相互作用部位和功能在内在无序蛋白质区域 (IDRs). 它使用转移学习来解决数据缺口,帮助开发新的IDR向治疗方法.

关键词:
药物设计 药物设计本质上是无序的蛋白质.神经网络的神经网络基于序列的预测方法.结构生物信息学

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