胡乔宇，副研究员
邮箱: qyuhu@hsc.ecnu.edu.cn，15810011786@163.com
教育背景：
08/2014-06/2020博士：美国迈阿密大学，化学系
专业：计算化学 (Ph.D.)，GPA 3.85
09/2011-06/2014硕士：中国科学院大学，过程工程研究所
专业：化学工程与工艺 (M.S.)，GPA 3.5
09/2007-06/2011本科：中国石油大学（北京），化学工程学院
专业：化学工程与工艺 (B.E.)
双学位: 国际经济与贸易 (B.E.)
总体 GPA: 86/100 专业 GPA: 92/100
工作经历：
10/2020-10/2022博后：上海科技大学，免疫化学研究所
11/2022-至今副研究员：华东师范大学，医院与健康研究院，人工智能新药创智中心
专业技能：
1.精通Linux操作环境，擅长使用高斯（Gaussian）等软件进行量子力学（QM）和量子力学/分子力学（QM/MM, ONIOM）的计算。
2.精通 Python 编程语言。具备使用Tensorflow、Keras和Pytorch等框架进行机器学习尤其是深度学习的能力。
3.擅长使用 GROMACS 等软件进行分子动力学模拟（MD）和自由能计算（FEC）。熟习多种增强采样的方法比如伞形采样, 副本交换和元动力学等。熟悉分子模拟的各种力场如Amber、Gromos和Charmm等。精通与分子模拟相关的各种软件（Autodock Vina、Yasara和VMD 等）。
4.擅长使用薛定谔软件完成与药物设计和分子模拟相关的各项任务，如虚拟筛选、同源建模和药物结合口袋的搜寻等。
5.在计算化学，生物和生物物理领域，对分子建模（Molecular Modeling）有很深的理解。熟悉高通量计算环境。
6.熟练使用与分离提纯和有机合成相关的各种实验仪器，具备通过色谱柱分离有机合成的产物并通过核磁共振（NMR）和质谱（MS）检验有机物结构的能力。精通各种表征仪器包括电感耦合等离子光谱发生仪（ICP），紫外光谱（UV），荧光光谱（Fluorescence）和红外光谱（IR）等。
获奖情况：
12/2021-now 上海市“超级博士后”激励计划，上海市人力资源和社会保障局
获得上海市“超级博士后”激励计划资助两年
06/2018-09/2018 Sam&Clara 暑期研究奖学金，迈阿密大学
因金属酶化学衍生物的研究成果而获得迈阿密大学暑期研究奖学金。
09/2012-06/2014 中国环境科学奖学金，中国科学院大学
因稀有金属分离和回收利用的研究成果而获得中国环境科学奖学金。
09/2008-07/2009 中国海洋石油奖学金，中国石油大学（北京）
因学习成绩突出而获得中国海洋石油奖学金。
09/2007-07/2008 国家奖学金，中华人民共和国教育部
因学习成绩突出而获得国家奖学金。
学术论文：
2012-2014 SCI文章: （硕士期间共发表论文四篇，其中一作二篇）
1.Qiaoyu Hu, Hari Paudyal, Junmei Zhao, Fang Huo, Katsutoshi Inoue, Huizhou Liu. Adsorptive recovery of vanadium(V) from chromium(VI) - containing effluent by Zr(IV)-loaded orange juice residue, Chemical Engineering Journal, 2014, 248, 79-88.
2.Qiaoyu Hu, Junmei Zhao, Fuchun Wang, Na Sui, Xiaoqin Wang, Fang Huo, Huizhou Liu. Selective extraction of vanadium from chromium by pure [C8mim][PF6]: an anion exchange process, Separation and Purification Technology, 2014, 131, 94-101.
3.Junmei Zhao, Qiaoyu Hu, Yingbo Li, Huizhou Liu. Efficient separation of vanadium and chromium by a novel ionic liquid-based synergistic extraction strategy, Chemical Engineering Journal, 2015, 264, 487-496.
4.Fuchun Wang, Junmei Zhao, Xuetuan Wei, Fang Huo, Wensong Li, Qiaoyu Hu, Huizhou Liu. Adsorption of rare earths (III) by calcium alginate - poly glumatic acid hybrid gels, Journal of Chemical Technology and Biotechnology, 2014, 89, 969-977.
2014-2020SCI文章:（博士期间共发表论文九篇，其中一作四篇，二作三篇）
5.Qiaoyu Hu, Vindi M. Jayasinghe-Arachchige, Joshua Zuchniarz, Rajeev Prabhakar. Effects of the Metal Ion on the Mechanism of Phosphodiester Hydrolysis Catalyzed by Metal-Cyclen Complexes. Frontiers in Chemistry, 2019, 7, 195.
6.Qiaoyu Hu, Vindi M. Jayasinghe-Arachchige, Gaurav Sharma, Leonardo F. Serafim, Thomas J. Paul and Rajeev Prabhakar. Mechanisms of Peptide and Phosphoester Hydrolysis Catalyzed by Two Promiscuous Metalloenzymes (Insulin Degrading Enzyme and Glycerophosphodiester- ase) and Their Synthetic Analogues. WIREs Computational Molecular Science, 2020, 10, e1466.
7.Qiaoyu Hu, Vindi M. Jayasinghe-Arachchige, Rajeev Prabhakar. Degradation of a Main Plastic Pollutant Polyethylene Terephthalate by Two Distinct Proteases (Neprilysin and Cutinase-like Enzyme). Journal of Chemical Information and Modeling, 2021, 61, 764-776.
8.Qiaoyu Hu, Kevin Padron, Daiki Hara, Junwei Shi, Alan Pollack, Rajeev Prabhakar, Wensi Tao. Interactions of Urea-Based Inhibitors with Prostate-Specific Membrane Antigen for Boron Neutron Capture Therapy. ACS Omega, 2021, 6, 33354-33369.
9.Vindi M. Jayasinghe-Arachchige, Qiaoyu Hu, Gaurav Sharma, Thomas J. Paul, Marcus Lundberg, David Quiñonero, Tatjana N. Parac-Vogt and Rajeev Prabhakar. Hydrolysis of Chemically Distinct Sites of Human Serum Albumin (HSA) by Polyoxometalate (POM): A Hybrid QM/MM (ONIOM) Study. Journal of Computational Chemistry, 2019, 40, 51-61.
10.Gaurav Sharma, Qiaoyu Hu, Vindi M. Jayasinghe-Arachchige, Thomas Paul, Gerhard Schenk and Rajeev Prabhakar. Investigating Coordination Flexibility of Glycerophosphodiesterase (GpdQ) Through Interactions with Mono-, Di-, and Triphosphoester (NPP, BNPP, GPE, and Paraoxon) Substrates. Physical Chemistry Chemical Physics, 2019, 21, 5499-5509.
11.Thomas M. Carlino, Qiaoyu Hu, Amy M. Scott. Aggregate Induced Self-Assembly and Ultrafast Dynamics of Light-Harvesting D-A-A Polymorphs. Macromolecular Rapid Communications, 2018, 39, 1800391.
12.Gaurav Sharma, Vindi M. Jayasinghe-Arachchige, Qiaoyu Hu, Gerhard Schenk and Rajeev Prabhakar. The Effect of Chemically Distinct Substrates on the Mechanism and Reactivity of a Highly Promiscuous Metallohydrolase. ACS Catalysis, 2020, 10, 3684-3696.
13.Mercedes M. A. Mazza, Shiori Yamazaki, Dieu X. Mai, Suyog Padgaon- kar, Samuel Peurifoy, Ariane Goncalves, Yi-Lin Wu, Qiaoyu Hu, Amy M. Scott. Photoinduced charge recombination in dipolar D-A-A photonic liquid crystal polymorphs. Physical Chemistry Chemical Physics, 2017, 19, 4588-4596.
2020-now
14.Fenglei Li1, Qiaoyu Hu1, Zhuanghua Liu1, Renhong Sun1, Sanan Wu, Siyuan Tian, Xinyue Ma, Zhizhuo Dai, Hualiang Jiang, Xiaobao Yang, Shenghua Gao, and Fang Bai. DeepPROTACs: a deep learning-based targeted degradation predictor for PROTACs. Nature Communications, Accepted.
15.Li Fenglei, Hu Qiaoyu, Xiong Ruofan, Bai Fang. Computational drug design methods by deep learning algorithms. Chinese Journal of Nature, 2021, 43(5): 383-390.
16.Zhongneng Zhou, Zijing Chen, Xiu-Wen Kang, Yalin Zhou, Bingyao Wang, Siwei Tang, Shuhua Zou, Yifei Zhang, Qiaoyu Hu, Fang Bai, Bei Ding, and Dongping Zhong. The nature of proton-coupled electron transfer in a blue light using flavin domain. Proceedings of the National Academy of Sciences of the United States of America, 2022, 119(26): e2203996119.
17.Yanyan Diao, Dandan Liu, Huan Ge, Rongrong Zhang, Kexin Jiang, Kai Zhang, Rui Wang, Lili Zhu, Zhenjiang Zhao, Qiaoyu Hu, and Hongling Li. Macrocyclization of linear molecules by deep learning to facilitate macrocyclic drug candidates discovery. Nature Communications, Under revision.
18.Qiaoyu Hu1, Fenglei Li1, Shihang Wang, Zongquan Li, Ruitao Hu, Lianghe Mei, and Fang Bai. AutoFBDD: a fragment-based method for automatically generating small molecule inhibitors and PROTACs for target proteins. Under Preparation.
专利
1.白芳，高盛华，蒋华良，李风雷，胡乔宇，刘壮华；基于神经网络的PROTAC分子降解率的预测系统及其构建方法，2021-9-07，中国，202111043888.3。