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Updated: Jan 14, 2026

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
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药物Appy - 一个端到端的深度学习框架用于计算药物发现

Elisa Poyatos-Racionero1, Lucía Paniagua-Herranz2, Cristian Privat1

  • 1Cancerappy S.L., 48950, Erandio, Biscay, Spain.

Computers in biology and medicine
|October 19, 2025
PubMed
概括

一个新的计算工具DrugAppy通过整合人工智能和化学方法来加速癌症药物发现. 它成功地发现了PARP和TEAD蛋白的强大抑制剂,与当前药物疗效相匹配或超过.

关键词:
和癌症,以及癌症.人工智能的人工智能是人工智能.药物设计 药物设计药品化学 药品化学 是一个

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