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Updated: Sep 16, 2025

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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药物ProtAI:一种机器学习驱动的方法,通过特征工程和强大的基于分区的合并方法来预测蛋白质的可用性.

Ankit Halder1, Sabyasachi Samantaray2, Sahil Barbade3

  • 1Department of Biosciences and Bioengineering, Indian Institute of Technology Bombay, Powai, Mumbai 400076, Maharashtra, India.

Briefings in bioinformatics
|July 8, 2025
PubMed
概括

药物ProtAI通过在完整的人类蛋白质组上使用机器学习来预测蛋白质的药用性来增强药物发现. 这种计算工具提高了目标选择的准确性,旨在减少药物开发失败.

关键词:
发现药物的发现.药物可毒的目标是可毒的目标.基于集体的方法 基于集体的方法功能选择 功能选择机器学习是机器学习.

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