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Generation of SARS-CoV-2 dual-target candidate inhibitors through 3D equivariant conditional generative neural networks

Zhong-Xing Zhou Hong-Xing Zhang Qingchuan Zheng

药物分析学报(英文)2025,Vol.15Issue(6):1291-1310,20.
药物分析学报(英文)2025,Vol.15Issue(6):1291-1310,20.DOI:10.1016/j.jpha.2025.101229

Generation of SARS-CoV-2 dual-target candidate inhibitors through 3D equivariant conditional generative neural networks

Generation of SARS-CoV-2 dual-target candidate inhibitors through 3D equivariant conditional generative neural networks

Zhong-Xing Zhou 1Hong-Xing Zhang 2Qingchuan Zheng1

作者信息

  • 1. School of Pharmaceutical Sciences,Jilin University,Changchun,130023,China||Institute of Theoretical Chemistry,College of Chemistry,Jilin University,Changchun,130023,China
  • 2. Institute of Theoretical Chemistry,College of Chemistry,Jilin University,Changchun,130023,China
  • 折叠

摘要

关键词

SARS-CoV-2/Dual-target drug/3D generative neural networks/Drug design

Key words

SARS-CoV-2/Dual-target drug/3D generative neural networks/Drug design

引用本文复制引用

Zhong-Xing Zhou,Hong-Xing Zhang,Qingchuan Zheng..Generation of SARS-CoV-2 dual-target candidate inhibitors through 3D equivariant conditional generative neural networks[J].药物分析学报(英文),2025,15(6):1291-1310,20.

基金项目

The work is financially supported by Interdisciplinary Innova-tion Project of "Bioarchaeology Laboratory" of Jilin University,China,and "Medicine+X" Interdisciplinary Innovation Team of Norman Bethune Health Science Center of Jilin University,China(Grant No.:2022JBGS05). (Grant No.:2022JBGS05)

药物分析学报(英文)

2095-1779

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