袁曙光 照片

袁曙光

研究员 博导

所属大学: 中国科学院深圳先进技术研究院

所属学院: 未知

邮箱:
shuguang.yuan@siat.ac.cn

个人主页:
http://people.ucas.ac.cn/~cadd

个人简介

教育背景 2013-09--2014-03 洛桑瑞士联邦理工学院(EPFL) 博士后 2012-09--2013-09 洛桑瑞士联邦理工学院(EPFL) 博士 2011-05--2018-08 波兰科学院 博士 2009-10--2011-04 比利时鲁汶大学(KULeuven) 博士 2005-09--2009-03 中国科学院上海有机化学研究所 硕士 2000-09--2004-07 太原科技大学 学士 工作经历 ​2019.04 至今 中国科学院深圳先进技术研究院 中国 研究员 2017.06 2019.02 Idorsia Pharmaceutical Ltd 瑞士 科学计算专家 2014.04 2017.06 Actelion Pharmaceutical Ltd 瑞士 计算药物化学家 2013.10 2014.03 洛桑瑞士联邦理工学院(EPFL) 瑞士 博士后 2009.04 2009.09 中国科学院上海有机化学研究所 中国 实验助理 奖励信息 (1) 国家海外高层次人才青年项目, 特等奖, 国家级, 2020 (2) ETH博士后奖学金, 特等奖, 国家级, 2014 (3) 最佳博士论文奖, 特等奖, 研究所(学校), 2013 (4) 玛丽居里奖学金, 特等奖, 国家级, 2011 专利成果 ( 1 ) Piperidine CXCR7 receptor modulators, 发明, 2017, 第 5 作者, 专利号: WO 2018019929

研究领域

计算机辅助药物设计 人工智能 计算生物学

近期论文

Zhang Y., Dijkman P., Zou R., et al., Vogel H., Yuan S*, Kudryashev M*, Asymmetric opening of the homopentameric 5-HT3A serotonin receptor in lipid bilayers, Nature Communications (2021).(doi:10.1038/s41467-021-21016-7) Liu K., Zou R., Cui W., et.al, Yuan S.*, Clinical HDAC Inhibitors are Effective Drugs to Prevent the Entry of SARS-CoV2. ACS Pharmacology & Translational Science (2020). (cover story, doi:10.1021/acsptsci.0c00163) Chan S.#, Wu Y.#, Tan L.#, Vogel H. Cheng J., Wu D., Yuan S.*, Enhancing the Signaling of GPCRs via Orthosteric Ions. ACS Central Science (2020). (doi:10.1021/acscentsci.9b01247) Liu K., Wu L., Yuan S., et. al, Structural basis of CXC chemokine receptor 2 activation and signalling. Nature (2020). (doi:10.1038/s41586-020-2492-5) Cui W., Aouidate A., Wang S., Yu Q., Li Y., Yuan S.*, Discovering anti-cancer drugs via computational methods. Frontiers in Pharmacology (2020). (doi:10.3389/fphar.2020.00733) Yao D., Wang Y., Zou R., et al., Wavelength-adjustable butterfly molecules in dynamic nanoassemblies for Extradomain-B fibronectin-modulating optical imaging and synchronous phototherapy of triple-negative breast cancer. Chemical Engineering Journal (2020). (doi:10.1016/j.cej.2020.127658) Dong Q.#, Yuan S.#, Wu L.#, et.al , Structure‑guided engineering of a Thermobifida fusca cutinase for enhanced hydrolysis on natural polyester substrate. Bioresources and Bioprocessing (2020). (doi:10.1186/s40643-020-00324-8) Chan S., Shan H., Dahoun T., Vogel H., Yuan S.*, Advancing Drug Discovery via Artificial Intelligence. Trends in Pharmacological Sciences (2019). (doi:10.1016/j.tips.2019.06.004) Chan S., Li Y., Dahoun T., Vogel H., Yuan S.*, New binding sites, new opportunities for GPCR drug discovery. Trends in Biochemical Sciences (2019). (doi:10.1016/j.tibs.2018.11.011) Liu L, Chan S, Mo T, Ding W, Yu S., Zhang Q., Yuan S., Movements of the Substrate-Binding Clamp of Cypemycin Decarboxylase CypD. Journal of Chemical Information and Modeling (2019). (doi:10.1021/acs.jcim.9b00156) Yuan S., Dahoun T., Brugarolas M., Pick H., Filipek S., Vogel H., Computational modeling of the olfactory receptor Olfr73 suggests a molecular basis for low potency of olfactory receptor-activating compounds, Communications Biology (2019). (doi:10.1038/s42003-019-0384-8) Chen X., Xu Y., Qu L., et al, Molecular Mechanism for Ligand Recognition and Subtype Selectivity of α2C Adrenergic Receptor. Cell Reports (2019). (doi:10.1016/j.celrep.2019.10.112) Zheng L., Falschlunger C., Huang K, Mairhofer E, Yuan S, et. al. Hatchet ribozyme structure and implications for cleavage mechanism. Proc Natl Acad Sci USA (2019). (10.1073/pnas.1902413116) WIPO Patent: Aissaoui H., Guerry P., Lehembre F., Pothier J., Pouzol L., Richard S., Yuan S., Piperidine CXCR7 receptor modulators. (2018). (patent no. WO 2018/019929 A1) Chan S., Wang J., Palczewski K., Filipek S., Vogel H., Liu Z., Yuan S.*, Exploring a new ligand binding site of G protein-coupled receptors. Chemical Science (2018). (cover story, doi:10.1039/C8SC01680A) Chan S., Pan L., Li Y., Yuan S.*, Rationalization of stereoselectivity in enzyme reactions. Computational Molecular Science (2018). (cover story, doi:10.1002/wcms.1403) Yan Y., Liu Q., Zang X., Yuan S., Bat-Erdene U., Nguyen C., Gan J., Zhou J., Jacobsen S., Tang Y.*, Resistance-Gene Directed Discovery of a Natural Product Herbicide with a New Mode of Action. Nature (2018). (doi:10.1038/s41586-018-0319-4) Peng Y., McCorvy J., Harpsøe K., Lansu K, Yuan S., et. al. Roth B., Stevens R., Liu Z.*, 5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology. Cell (2018). (doi:10.1016/j.cell.2018.01.001) Ernst I., Haase M., Ernst S., Yuan S., Kuhn A., Leptihn S., Large conformational changes of a highly dynamic Pre-Protein Binding Domain in SecA. Communications Biology (2018). (doi:10.1038/s42003-018-0133-4) Li W, Zhou Y, You W, Yang M, Ma Y, Wang M, Wang Y, Yuan S., Xiao Y*, Development of Photoaffinity Probe for the Discovery of Steviol Glycosides Biosynthesis Pathway in Stevia rebuadiana and Rapid Substrate Screening, ACS Chemical Biology (2018). (doi:10.1021/acschembio.8b00285)