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Updated: Mar 14, 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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MSCMF-DTB:用于药物标结合预测的多规模交叉模式融合框架

Juan Huang1, Yuxue Pan1, Qu Chen2

  • 1School of Biological and Chemical Engineering, Zhejiang University of Science and Technology, Hangzhou, 310023, People's Republic of China.

Scientific reports
|March 13, 2026
PubMed
概括

这项研究介绍了MSCMF-DTB,这是一种用于预测药物向相互作用和亲和关系的深度学习模型. 该框架在各种数据集中表现出强的表现,有助于药物发现和重新利用.

关键词:
交叉关注机制 交叉关注机制交叉模式融合 交叉模式融合药物目标亲和关系药物目标相互作用分子指纹分子指纹张量网络 张量网络 张量网络

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