Journal of the American Chemical Society

MetalloDock: Decoding Metalloprotein–Ligand Interactions via Physics-Aware Deep Learning for Metalloprotein Drug Discovery

H Hui Zhang (The Fourth Hospital of Hebei Medical University Shijiazhuang China) X Xujun Zhang (College of Pharmaceutical Sciences) Q Qun Su (College of Pharmaceutical Sciences) Y Yangyang Zheng (College of Pharmaceutical Sciences) L Linlong Jiang (College of Pharmaceutical Sciences) K Kai Zhu Q Qiaolin Gou (College of Pharmaceutical Sciences) O Odin Zhang (College of Pharmaceutical Sciences) S Shi Li (Department of Oncology Shenyang Chest Hospital Shenyang China) B Bo Peng S Shaokai Ni (Zhejiang Provincial Key Laboratory for Intelligent Drug Discovery and Development) Y Yushen Du (Zhejiang Provincial Key Laboratory for Intelligent Drug Discovery and Development) J Jiayi Tang (College of Pharmaceutical Sciences) Y Yu Kang (College of Pharmaceutical Sciences) C Chang-Yu Hsieh (College of Pharmaceutical Sciences) D Dan Li W Wenteng Chen (College of Pharmaceutical Sciences) T Tingjun Hou (College of Pharmaceutical Sciences) P Peichen Pan (College of Pharmaceutical Sciences)
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Article Details

Volume / Issue Vol. 148, Issue 3
Published January 28, 2026
Pages 3086-3101
ISSN 0002-7863
Publisher American Chemical Society

Journal Info

Journal of the American Chemical Society

American Chemical Society
ISSN: 0002-7863 Physical Sciences

Authors (19)

H

Hui Zhang

The Fourth Hospital of Hebei Medical University Shijiazhuang China

X

Xujun Zhang

College of Pharmaceutical Sciences

Q

Qun Su

College of Pharmaceutical Sciences

Y

Yangyang Zheng

College of Pharmaceutical Sciences

L

Linlong Jiang

College of Pharmaceutical Sciences

K

Kai Zhu

Q

Qiaolin Gou

College of Pharmaceutical Sciences

O

Odin Zhang

College of Pharmaceutical Sciences

S

Shi Li

Department of Oncology Shenyang Chest Hospital Shenyang China

B

Bo Peng

S

Shaokai Ni

Zhejiang Provincial Key Laboratory for Intelligent Drug Discovery and Development

Y

Yushen Du

Zhejiang Provincial Key Laboratory for Intelligent Drug Discovery and Development

J

Jiayi Tang

College of Pharmaceutical Sciences

Y

Yu Kang

College of Pharmaceutical Sciences

C

Chang-Yu Hsieh

College of Pharmaceutical Sciences

D

Dan Li

W

Wenteng Chen

College of Pharmaceutical Sciences

T

Tingjun Hou

College of Pharmaceutical Sciences

P

Peichen Pan

College of Pharmaceutical Sciences

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