Target-aware 3D molecular generation based on guided equivariant diffusion
Q
Qiaoyu Hu
(Shanghai Institute for Advanced Immunochemical Studies, ShanghaiTech University)
C
Changzhi Sun
H
Huan He
(National Engineering Laboratory for Druggable Gene and Protein Screening, College of Life Science, Northeast Normal University)
J
Jiazheng Xu
D
Danlin Liu
W
Wenqing Zhang
(Academy for Advanced Interdisciplinary Studies & Department of Materials Science and Engineering, Guangdong Provincial Key Laboratory of Computational Science and Material Design)
S
Sumeng Shi
K
Kai Zhang
H
Honglin Li
(Innovation Center for AI and Drug Discovery, School of Pharmacy, East China Normal University)
Article Details
Journal
Nature Communications
Volume / Issue
Vol. 16, Issue 1
Published
August 25, 2025
ISSN
2041-1723
Publisher
Nature Portfolio
Authors (9)
Q
Qiaoyu Hu
Shanghai Institute for Advanced Immunochemical Studies, ShanghaiTech University
C
Changzhi Sun
H
Huan He
National Engineering Laboratory for Druggable Gene and Protein Screening, College of Life Science, Northeast Normal University
J
Jiazheng Xu
D
Danlin Liu
W
Wenqing Zhang
Academy for Advanced Interdisciplinary Studies & Department of Materials Science and Engineering, Guangdong Provincial Key Laboratory of Computational Science and Material Design
S
Sumeng Shi
K
Kai Zhang
H
Honglin Li
Innovation Center for AI and Drug Discovery, School of Pharmacy, East China Normal University
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