Sutong Xiang
Kexin Xu
Mingyun Shen
Zhe Wang 0041
Sutong Xiang
Qirui Deng
Kaimo Yang
Zhiliang Jiang
Zihao Wang
Chen Yin
Tingjun Hou
Huiyong Sun
Understanding the Kinetic Mechanism of Ligands Stabilizing the RAS-CYPA Interaction.
2026
1865-1879
66
J. Chem. Inf. Model.
3
https://doi.org/10.1021/acs.jcim.5c02966
db/journals/jcisd/jcisd66.html#XuSWXDYJWYHS26
streams/journals/jcisd
Kaimo Yang
Dejun Jiang 0002
Qirui Deng
Sutong Xiang
Jingxuan Ge
Kexin Xu
Zhiliang Jiang
Zihao Wang
Chen Yin
Youqiao Qian
Tingjun Hou
Huiyong Sun
A Unified Deep Graph Model for Identifying the Molecular Categories of Ligands Targeting Nuclear Receptors.
5481-5494
2025
65
J. Chem. Inf. Model.
11
https://doi.org/10.1021/acs.jcim.5c00700
db/journals/jcisd/jcisd65.html#YangJDXGXJWYQHS25
streams/journals/jcisd
Qirui Deng
Zhe Wang 0041
Sutong Xiang
Qinghua Wang
Yifei Liu
Tingjun Hou
Huiyong Sun
RLpMIEC: High-Affinity Peptide Generation Targeting Major Histocompatibility Complex-I Guided and Interpreted by Interaction Spectrum-Navigated Reinforcement Learning.
6432-6449
2024
64
J. Chem. Inf. Model.
16
https://doi.org/10.1021/acs.jcim.4c01153
db/journals/jcisd/jcisd64.html#DengWXWLHS24
streams/journals/jcisd
Lingling Wang
Shu Li
Sutong Xiang
Huanxiang Liu
Huiyong Sun
Elucidating the Selective Mechanism of Drugs Targeting Cyclin-Dependent Kinases with Integrated MetaD-US Simulation.
6899-6911
2024
64
J. Chem. Inf. Model.
17
https://doi.org/10.1021/acs.jcim.4c01196
db/journals/jcisd/jcisd64.html#WangLXLS24
streams/journals/jcisd
Kexin Xu
Zhe Wang 0041
Sutong Xiang
Rongfan Tang
Qirui Deng
Jingxuan Ge
Zhiliang Jiang
Kaimo Yang
Tingjun Hou
Huiyong Sun
Characterizing the Cooperative Effect of PROTAC Systems with End-Point Binding Free Energy Calculation.
7666-7678
2024
64
J. Chem. Inf. Model.
19
https://doi.org/10.1021/acs.jcim.4c01227
db/journals/jcisd/jcisd64.html#XuWXTDGJYHS24
streams/journals/jcisd
Sutong Xiang
Zhe Wang 0041
Rongfan Tang
Lingling Wang
Qinghua Wang
Yang Yu
Qirui Deng
Tingjun Hou
Haiping Hao
Huiyong Sun
Exhaustively Exploring the Prevalent Interaction Pathways of Ligands Targeting the Ligand-Binding Pocket of Farnesoid X Receptor <i>via</i> Combined Enhanced Sampling.
7529-7544
2023
December
63
J. Chem. Inf. Model.
23
https://doi.org/10.1021/acs.jcim.3c01451
db/journals/jcisd/jcisd63.html#XiangWTWWYDHHS23
Qirui Deng
Jingxuan Ge
Haiping Hao
Tingjun Hou
Dejun Jiang 0002
Zhiliang Jiang
Shu Li
Huanxiang Liu
Yifei Liu
Youqiao Qian
Mingyun Shen
Huiyong Sun
Rongfan Tang
Lingling Wang
Qinghua Wang
Zhe Wang 0041
Zihao Wang
Kexin Xu
Kaimo Yang
Chen Yin
Yang Yu