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Peer-reviewedLicence not statedNature Chemical Biology

Atomic-level protein–ligand recognition with PBCNet2.0 for probe discovery

  • Jie Yu1,2,3
  • Xia Sheng1,4
  • Zhehuan Fan1,4
  • Zhaokun Wang1,4
  • Duanhua Cao5
  • Yufan Tang6
  • Yongxin Hao7,1
  • Yingying Zhang7,1
  • Panpan Shao1,8
  • Huicong Ma9,10
  • Tian Cao11,10
  • Chuanlong Zeng1,4
9 more authors
  • Jingxin Rao1,4
  • Mingan Chen1,2,12
  • Kaixian Chen1,4
  • Xutong Li1,4
  • Dan Teng1,4
  • Xiaomin Luo1,4
  • Mingliang Wang13,14,15
  • Sulin Zhang16,17
  • Mingyue Zheng18,19,20
20 affiliations
  1. 1Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, China
  2. 2Lingang Laboratory, Shanghai, China
  3. 3School of Information Science and Technology, ShanghaiTech University, Shanghai, China
  4. 4University of Chinese Academy of Sciences, Beijing, China
  5. 5School of Life Sciences and Technology, Tongji University, Shanghai, China
  6. 6Fudan University, Shanghai, China
  7. 7Division of Life Science and Medicine, University of Science and Technology of China, Hefei, China
  8. 8School of Chinese Materia Medica, Nanjing University of Chinese Medicine, Nanjing, China
  9. 9School of Pharmacy, Zunyi Medical University, Zunyi, China
  10. 10Zhongshan Institute for Drug Discovery, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Zhongshan Tsuihang New District, Guangdong, China
  11. 11State Key Laboratory of Discovery and Utilization of Functional Components in Traditional Chinese Medicine, School of Pharmaceutical Sciences, Guizhou Medical University, Guiyang, China
  12. 12School of Physical Science and Technology, ShanghaiTech University, Shanghai, China
  13. 13Department of Medicinal Chemistry, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, China. [email protected]
  14. 14School of Pharmacy, Zunyi Medical University, Zunyi, China. [email protected]
  15. 15Zhongshan Institute for Drug Discovery, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Zhongshan Tsuihang New District, Guangdong, China. [email protected]
  16. 16Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, China. [email protected]
  17. 17University of Chinese Academy of Sciences, Beijing, China. [email protected]
  18. 18Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, China. [email protected]
  19. 19School of Information Science and Technology, ShanghaiTech University, Shanghai, China. [email protected]
  20. 20University of Chinese Academy of Sciences, Beijing, China. [email protected]
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Cite

BibTeXRIS
BibTeX
@article{yu2026atomiclevel,
  title = {{Atomic-level protein–ligand recognition with PBCNet2.0 for probe discovery}},
  author = {Jie Yu and Xia Sheng and Zhehuan Fan and Zhaokun Wang and Duanhua Cao and Yufan Tang and Yongxin Hao and Yingying Zhang and Panpan Shao and Huicong Ma and Tian Cao and Chuanlong Zeng and Jingxin Rao and Mingan Chen and Kaixian Chen and Xutong Li and Dan Teng and Xiaomin Luo and Mingliang Wang and Sulin Zhang and Mingyue Zheng},
  journal = {Nature Chemical Biology},
  year = {2026},
  month = jun,
  doi = {10.1038/s41589-026-02241-x},
  url = {https://doi.org/10.1101/2025.06.04.657800},
}
RIS
TY  - JOUR
TI  - Atomic-level protein–ligand recognition with PBCNet2.0 for probe discovery
AU  - Jie Yu
AU  - Xia Sheng
AU  - Zhehuan Fan
AU  - Zhaokun Wang
AU  - Duanhua Cao
AU  - Yufan Tang
AU  - Yongxin Hao
AU  - Yingying Zhang
AU  - Panpan Shao
AU  - Huicong Ma
AU  - Tian Cao
AU  - Chuanlong Zeng
AU  - Jingxin Rao
AU  - Mingan Chen
AU  - Kaixian Chen
AU  - Xutong Li
AU  - Dan Teng
AU  - Xiaomin Luo
AU  - Mingliang Wang
AU  - Sulin Zhang
AU  - Mingyue Zheng
PY  - 2026
DA  - 2026/06/12
JO  - Nature Chemical Biology
DO  - 10.1038/s41589-026-02241-x
UR  - https://doi.org/10.1101/2025.06.04.657800
SN  - 1552-4450
SN  - 1552-4469
ER  -