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?^#第一作者，^*通訊作者

1. Z. Chen^#, J. Yu^#, H. Wang^#, P. Xu^#, L. Fan, F. Sun, S. Huang, P. Zhang, H. Huang, S. Gu, B. Zhang, Y. Zhou, X. Wan, G. Pei, H E. Xu^*, J. Cheng^*, S. Wang^*. Flexible Scaffold-based Cheminformatics Approach for Polypharmacological Drug Design. Cell.187:1-15(2024).
2. D. Cao^#, P. Zhang^#, S. Wang^*. Advances in structure-based drug design: The potential for precision therapeuticsin psychiatric disorders. Neuron. 112(4):526-538(2024).
3. Y. Wang^#, P. Zhang^#, Y. Chao^#, Z. Zhu^#, C. Yang^#, Z. Zhou^#, Y. Li, Y. Long, Y. Liu, D. Li, S. Wang^* and Q. Qu^*. Transport and inhibition mechanism for VMAT2-mediatedsynaptic vesicle loading of monoamines. Cell Res., 34(1):47-57(2024).
4. W. Duan^#, D. Cao^#, S. Wang^*, J. Cheng^*. Serotonin 2A Receptor (5-HT2AR) Agonists: Psychedelics and NonHallucinogenic Analogues as Emerging Antidepressants. Chem. Rev., 124(1):124-163(2023).
5. H. Liu^#, Y. Zheng^#, Y. Wang^#, Y. Wang^#, X. He, P. Xu, S. Huang, Q. Yuan, X. Zhang, L. Wang, K. Jiang, H .Chen, Z .Li, W. Liu^*, S. Wang^*, HE Xu^*, F. Xu^*. Recognition of methamphetamine and other amines by trace amine receptor TAAR1. Nature. 624(7992):663-671(2023).
6. R. Liu^#, J. Qi^#, H. Wang, L. Fan, P. Zhang, J. Yu, L. Tan, S. Wang^*, J. Cheng^*. Transformation of a Dopamine D2?Receptor Agonist to Partial Agonists as Novel Antipsychotic Agents. J Med Chem., 66(9):6274-6287(2023).
7. L. He^#, Q. Zhao^#, J. Qi^#, Y. Wang^#, W. Han, Z. Chen, Y. Cong^*, S. Wang^*. Structural insights into constitutive activity of 5-HT₆ receptor. PNAS, 120(14):e2209917120 (2023).
8. L. Yu^#, L. He^#, B. Gan^#, R. Ti^#, Q. Xiao, H. Hu, L. Zhu^*, S. Wang^*, R. Ren^*. Structural insights into sphingosine-1-phosphate receptor activation. PNAS, 119(16): e2117716119 (2022).
9. J. Wang^#, M. Wu^#, Z. Chen^#, L. Wu, T. Wang, D. Cao, H. Wang, S. Liu, Y. Xu, F. Li, J. Liu, N. Chen, S. Zhao, J. Cheng^*, S. Wang^*, T. Hua^*. The unconventional activation of the muscarinic acetylcholine receptor M4R by diverse ligands. Nat. Commun., 13:2855 (2022).?
10. D. Cao^#, J. Yu^#, H. Wang^#, Z. Luo^#, X. Liu^#, L. He, J. Qi, L. Fan, L. Tang, Z. Chen, J. Li, J. Cheng^*&S. Wang^*. Structure-based discovery of non-hallucinogenic psychedelic analogs. Science, 375: 403-411(2022).
11. Z. Chen^#, L. Fan^#, H. Wang^#, J. Yu^#, D. Lu^#, J. Qi, F. Nie, Z. Luo, Z. Liu, J. Cheng^*&S. Wang^*. Structure-based design of a novel third-generation antipsychotic drug lead with antidepressant properties. Nat. Neurosci., 25(1):39-49 (2022).(Cover Story)
12. L. Fan^#, L. Tan^#, Z. Chen, J. Qi, F. Nie, Z. Luo, J. Cheng^*&S. Wang^*, Haloperidol bound D₂ dopamine receptor structure inspired the discovery of subtype selective ligands.?Nat. Commun., 11:1074 (2020).
13. S. Wang^*, T. Che, A. Levit, B. K. Shoichet, D. Wacker^*& B. L. Roth^*, Structure of the D₂ dopamine receptor bound to the atypical antipsychotic drug risperidone.?Nature, 555(7695):269-273 (2018).
14. S. Wang^#,*, D. Wacker^#,*, A. Levit^#, T. Che, R. M. Betz, J. D. McCorvy, A. J. Venkatakrishnan, X.P. Huang, R. O. Dror, B. K. Shoichet^*& B. L. Roth^*, High Resolution Structures of the D₄ Dopamine Receptor Template the Discovery of Novel Specific Agonists.?Science, 358, 381-386 (2017).
15. J. Lyu^#,?S. Wang^#, T. E. Balius^#, I. Singh^#, A. Levit, Y. S. Moroz, M. J. O’Meara, T. Che, E. Algaa, K. Tolmachova, A. A. Tolmachev, B. K. Shoichet^*, B. L. Roth^*& J. J. Irwin^*, Ultra-large Library Docking for Discovering New Chemotypes.?Nature, 566(7743):224-229 (2019).
16. J. D. McCorvy^#,*, D. Wacker^#,?S. Wang^#, B. Agegnehu, J. Liu, K. Lansu, A. R. Tribo, R. H. J. Olsen, T. Che, J. Jin& B. L. Roth^*. Structural Determinants of 5-HT2B Receptor Activation and Biased Agonism.?Nat. Struct. Mol. Biol., 25(9):787-796 (2018).
17. D. Wacker^#,*,?S. Wang^#, J. D. McCorvy^#, R. M. Betz, A. J. Venkatakrishnan, A. Levit, K. Lansu, Z. L. Schools, T. Che, D. E. Nichols, B. K. Shoichet, R. O. Dror^*& B. L. Roth^*. Crystal structure of an LSD bound human serotonin receptor.?Cell, 168, 377-389 (2017). (Cover Story)