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个人简介

主要研究方向为功性生物大分子(包括酶、生物材料等)的结构机制解析、理性设计及应用开发。具体研究内容包括:基于结晶、冷冻电镜等手段的蛋白质结构及复合生物大分子体系构造研究;结合分子模拟和量化计算的功能机制认知、结合人工智能的生物大分子设计技术开发以及计算生物学软件开发;基于关键蛋白质元件设计与适配的合成生物学体系构建及其在催化反应、化学品合成、生物材料、食品科学等领域的应用等。作为负责人先后承担国家重点研发项目课题及子课题、国家“863”项目子课题;国家自然科学基金面上项目、重点项目子课题等国家重大科研项目多项。在国际上首次实现了多个重要工业酶分子结构及细菌分泌系统构造的结晶/冷冻电镜解析;建立了多个全新生物大分子动态机制模型及人工智能精准设计策略;开发了国际领先且具有自主知识产权的蛋白质(酶、蛋白材料等)设计软件多套,获国家软件著作权3项,并已被广泛使用;在PNAS等重要国际期刊发表SCI论文60余篇;开发的新型工业酶及生物合成技术在宁夏夏盛等企业实现应用,创造了巨大经济社会效益,并因此获省部级科技奖励一等奖3项,二等奖2项。担任Frontiersin Molecular Biosciences等杂志编委。 教育经历 2016-2018, 美国加州理工学院(Caltech),生物科学系(BBE),博士后,合作导师:Grant Jensen(HHMI) 2007-2014, 华东理工大学,生物化学与分子生物学,博士学位 2001-2004, 南京工业大学,生物化工,硕士学位 1997-2001, 南京工业大学,微生物制药,学士学位 工作经历 2016-至今,纽约大学(上海), 理论与计算化学中心,教授(兼) 2016-至今,华东师范大学,化学与分子工程学院,教授 2004-2016,华东理工大学,生物工程学院,讲师 荣誉及奖励 本人获得的省部级一等学术奖励: 2016年,植物源生物活性物质精提用酶制剂的研发与应用. 中国商业联合会, 中国商业联合会科学技术奖全国商业科技进步奖, 一等奖 2012年,手性非天然氨基酸生物催化制备技术及其应用,上海市人民政府,上海市科技进步奖,一等奖 2010年,工业酶制剂的创制与产业化关键技术. 上海市人民政府,上海市科技进步奖,一等奖 本人获得的省部级二等学术奖励: 2017年,生物酶理性改造与高效发酵关键技术及应用. 湖北省人民政府, 科技进步奖,二等奖 2016年,海洋食品的生物制造关键技术与应用,国家海洋局(中国海洋工程咨询协会),国家海洋工程科学技术奖,二等奖 指导学生获得的教学奖励: 2021年,第二届全国大学生化学实验创新设计大赛“微瑞杯”华东赛区,二等奖

研究领域

利用结晶、Xray衍射及冷冻电镜技术的蛋白质(及其复合物)结构解析 结合分子动力学模拟、量子化学和高性能计算的酶分子催化机制解析、理性设计及相关软件开发 基于生物催化与转换技术的生物反应工程、合成生物学研究及其在食品、医药、材料、能源等领域的应用

近期论文

查看导师新发文章 (温馨提示:请注意重名现象,建议点开原文通过作者单位确认)

Food Chemistry, Volume 374, 16 April 2022 Investigating mechanism of sweetness intensity differences through dynamic analysis of sweetener–T1R2–membrane systems Yulu Miao, Hui Ni, Xingyi Zhang, Fengdong Zhi, Xiang Long, Xuepeng Yang, Xiao He*, Lujia Zhang* LWT - Food Science and Technology, Volume 167, 15 September 2022 High-level expression and improved pepsin activity by enhancing the conserved domain stability based on a scissor-like model Yue Zhao, Yulu Miao, Yalong Cong, Jiawei Wang, Fengdong Zhi, Yue Pan Jianguo Zhang, John Z.H. Zhang*, Lujia Zhang* Frontiers in Molecular Biosciences, 23 May 2022 Rational Design of P450 aMOx for improving anti-Markovnikov selectivity based on Butterfly Model Yue Pan, Jinxiao Bao, Xingyi Zhang, Hui Ni, Yue Zhao, Fengdong Zhi, Bohuan Fang, Xiao He*, John Z.H. Zhang*, Lujia Zhang* Biomateries, Volume 287, August 2022 Umami polypeptide detection system targeting the human T1R1 receptor and its taste-presenting mechanism Chuanxi Zhang, Yulu Miao, Yinghui Feng, Jiawei Wang, Zhuoli Tian, Juan Dong, Bei Gao*, Lujia Zhang* Food & Function, 21 May 2021 Drug-guided screening for pancreatic lipase inhibitors in functional foods Lujia Zhang, Jinkai Zheng, Mingzhe Ma, Yue Zhao, Jia Song, Xin Chen, Wanxiu Cao, Xiao He, Changhu Xue, Qingjuan Tang* Frontiers in Physics, 30 September 2021 Rational Design of Pepsin for Enhanced Thermostability via Exploiting the Guide of Structural Weakness Stability Yue Zhao, Yulu Miao, Fengdong Zhi, Yue Pan, Jianguo Zhang, Xuepeng Yang, John Z. H. Zhang*, Lujia Zhang* RSC Advances, 06 April 2021 Engineering the biomimetic cofactors of NMNH for cytochrome P450 BM3 based on binding conformation refinement Yao Liu, Yalong Cong, Chuanxi Zhang, Bohuan Fang, Yue Pan, Qiangzi Li, Chun You, Bei Gao, John Z. H. Zhang, Tong Zhu*, Lujia Zhang* Chemical Biology & Drug Design, February 2021 Identification of three new compounds that directly target human serine hydroxymethyltransferase 2 Yanfang Han, Liping He, Yifei Qi, Yue Zhao, Yue Pan, Bohuan Fang, Sha Li, John Z. H. Zhang*, Lujia Zhang* Food Science & Nutrition, 03 May 2021 Investigation on the characteristics and mechanisms of ACE inhibitory peptides by a thorough analysis of all 8000 tripeptides via binding free energy calculation Ruiyao Chen, Yulu Miao, Xuan Hao, Bei Gao, Mingzhe Ma, John Z. H. Zhang, Rui Wang, Sha Li, Xiao He*, Lujia Zhang* Journal of Chemical Information and Modeling, 26 July 2021 Anchor-Locker Binding Mechanism of the Coronavirus Spike Protein to Human ACE2: Insights from Computational Analysis Yalong Cong, Yinghui Feng, Hui Ni, Fengdong Zhi, Yulu Miao, Bohuan Fang, Lujia Zhang*, John Z. H. Zhang* Journal of Molecular Biology, Volume 433, 25 June 2021 Programmed Flagellar Ejection in Caulobacter crescentus Leaves PL-subcomplexes Mohammed Kaplan, Yuhang Wang, Georges Chreifi, Lujia Zhang, Yi-Wei Chang, Grant J. Jensen* Journal of Agricultural and Food Chemistry, 16 April 2020 An Energy Optimization Strategy Based on the Perfect Conformation of Prolyl Endopeptidase for Improving Catalytic6 Efficiency Xiaolin Li, Yalong Cong, Mingzhe Ma, Zhineng You, Bei Gao, John Zeng Hui Zhang*, Lujia Zhang* Proceedings of the National Academy of Sciences of the United States of America, 17 January 2020 M06-SX screened-exchange density functional for chemistry and solid-state physics Ying Wang, Verma, Pragya, Lujia Zhang, Yaqi Li, Zhonghua Liu, Truhlar Donald G.*, Xiao He* Journal of Food Biochemistry, 04 October 2018 Identification and magnetic immobilization of a pyrophilous aspartic protease from Antarctic psychrophilic fungus Bei Gao, Lei He, Dongzhi Wei, Lujia Zhang* Protein Science, 03 May 2018 Crius: A novel fragment-based algorithm of de novo substrate prediction for enzymes Zhiqiang Yao, Shuiqin Jiang, Lujia Zhang*, Bei Gao, Xiao He, John Z. H. Zhang, Dongzhi Wei* Biochemical Engineering Journal, Volume 129, 15 January 2018 Energy and conformation determine the enantioselectivity of enzyme Bei Gao, Shuiqin Jiang, Liuzhu Wang, Lujia Zhang* , Dongzhi Wei* Catalysis Science & Technology, 15 February 2017 Switching a nitrilase from Syechocystis sp. PCC6803 to a nitrile hydratase by rationally regulating reaction pathways Shuiqin Jiang, Lujia Zhang*, Zhiqiang Yao, Bei Gao, Hualei Wang, Xiangzhao Mao, Dongzhi Wei* Food Chemistry, Volume 221, 15 April 2017 The structure features of umami hexapeptides for the T1R1/T1R3 receptor Xiaqin Yu, Lujia Zhang*, Xiaodan Miao, Yanyu Li, Yuan Liu* Journal of Chemical Information and Modeling, 23 August 2019 Study of SHMT2 Inhibitors and Their Binding Mechanism by Computational Alanine Scanning Liping He, Jingxiao Bao, Yunpeng Yang, Suzhen Dong, Lujia Zhang, Yifei Qi*, John Z. H. Zhang* Journal of Food Measurement and Characterization, 11 April 2019 Cloning, purification and biochemical characterization of recombinant Cathepsin L from Takifugu rubripes and its role in taste formation Qilong Tang, Wenli Wang, Lujia Zhang, Yuan Liu* Journal of Solid State Chemistry, Volume 272, April 2019 Syntheses, structures, optical properties, and electronic structures of Ba6Cu2GSn4S16 (G = Fe, Ni) and Sr6D2FeSn4S16 (D = Cu, Ag) Lingyun Zhang, Dajiang Mei*, Yuanwang Wu, Chenfei Shen, Wenxin Hu, Lujia Zhang, Jinjin Li, Yuandong Wu, Xiao He Applied Microbiology and Biotechnology, 06 December 2018 Structure-based design of agarase AgWH50C from Agarivorans gilvus WH0801 to enhance thermostability Pujuan Zhang, Jinru Zhang, Lujia Zhang, Jianan Sun, Yuan Li, Lian Wu, Jiahai Zhou, Changhu Xue, Xiangzhao Mao* Food Chemistry, Volume 245, 15 April 2018 Development and characterization of an α-L-rhamnosidase mutant with improved thermostability and a higher efficiency for debittering orange juice Lijun Li, Zheyu Wu, Yue Yu, Lujia Zhang, Yanbing Zhu, Hui Ni*, Feng Chen Journal of Agricultural and Food Chemistry, 18 January 2018 Antihypertensive effects, molecular docking study, and isothermal titration calorimetry assay of angiotensin I?converting enzyme inhibitory peptides from Chlorella vulgaris Jingli Xie*, Xujun Chen, Junjie Wu, Yanyan Zhang, Yan Zhou, Lujia Zhang, YaJie Tang, Dongzhi Wei* BMC Biotechnology, 28 February 2017 Functional expression of a novel α-amylase from Antarctic psychrotolerant fungus for baking industry and its magnetic immobilization Lei He, Youzhi Mao, Lujia Zhang, Hualei Wang, Siti Aisyah Alias, Bei Gao*, Dongzhi Wei Scientific Reports, 17 October 2017 Novel application of magnetic protein: convenient one-step purification and immobilization of proteins Min Jiang, Lujia Zhang, Fengqing Wang, Jie Zhang, Guosong Liu, Bei Gao*, Dongzhi Wei* Journal of Agricultural and Food Chemistry, 27 August 2019 Biochemical Characterization and substrate degradation mode of a novel exotype β-agarase from Agarivorans gilvus WH0801 Yunxiao Liang, Xiaoqing Ma, Lujia Zhang, Fuli Li, Zhen Liu, Xiangzhao Mao* Process Biochemistry, Volume 63, December 2017 Angiotensin I-converting enzyme inhibitory peptides from Sipuncula (Phascolosoma esculenta): purification, identification, molecular docking and antihypertensive effects on spontaneously hypertensive rats Mingrong Guo, Xujun Chen, Yanling Wu, Lujia Zhang, Weixue Huang, Ying Yuan, Ming Fang, Jingli Xie*, Dongzhi Wei* Chemical Physics Letters, Volume 685, 01 October 2017 Computational search for aflatoxin binding proteins Ying Wang, Jinfeng Liu, Lujia Zhang, Xiao He*, John Z.H. Zhang* Journal of Biotechnology, Volume 249, 10 May 2017 Identification of a novel phospholipase D with high transphosphatidylation activity and its application in synthesis of phosphatidylserine and DHA-phosphatidylserine Xiangzhao Mao*, Qianqian Liu, Yongqian Qiu, Xiaoqin Fan, Qingqing Han, Yanjun Liu, Lujia Zhang, Changhu Xue* Biotechnology for Biofuels, 13 June 2016 Improvement of the thermostability and catalytic efficiency of a highly active β-glucanase from Talaromyces leycettanus JCM12802 by optimizing residual charge–charge interactions Shuai You, Tao Tu, Lujia Zhang, Yuan Wang, Huoqing Huang, Rui Ma, Pengjun Shi, Yingguo Bai, Xiaoyun Su, Zhemin Lin, Huiying Luo*, Bin Yao* Scientific Reports, 06 October 2016 The important role of halogen bond in substrate selectivity of enzymatic catalysis Shuiqin Jiang, LujiaZhang*, DongbinCui, ZhiqiangYao, BeiGao, Jinping Lin, DongzhiWei* Journal of Agricultural and Food Chemistry, 16 September 2016 Characterization of a Novel α- L -arabinofuranosidase from ruminococcus albus 7 and rational design for its thermostability Ying Yang, Jiaqi Sun, Junjie Wu, Lujia Zhang, Lei Du,Shingo Matsukawa, Jingli Xie*, Dongzhi Wei Journal of Chemical Information and Modeling, 16 August 2016 A semi-automated structure-based method to predict substrate of enzyme via molecular docking: a case study with Candida antarctica Lipase B Zhiqiang Yao, Lujia Zhang*, Bei Gao, Dongbing Cui, Fengqing Wang, Xiao He,John Z. H. Zhang, Dongzhi Wei* Chemical Physics Letters, Volume 659, 16 August 2016 Predicted PAR1 inhibitors from multiple computational methods Ying Wang, Jinfeng Liu, Tong Zhu, Lujia Zhang, Xiao He*, John Z.H. Zhang* Journal of Chemical Information and Modeling, Volume 56, 18 April 2016 PBSA_E: a PBSA-based free energy estimator for protein-ligand binding affinity Xiao Liu, Jinfeng Liu, Tong Zhu, Lujia Zhang, Xiao He*, John Z. H. Zhang* Applied and Environmental Microbiology, 13 November 2015 Protein engineering of a nitrilase from Burkholderia cenocepacia J2315 for efficient and enantioselective production of (R)-o-chloromandelic acid Hualei Wang, Wenyuan Gao, Huihui Sun, Lifeng Chen, Lujia Zhang, Xuedong Wang*, Dongzhi Wei* Applied and Environmental Microbiology, 4 September 2015 Improvement in thermostability of an Achaetomium sp. strain Xz8 endopolygalacturonase via the optimization of charge-charge interactions Tao Tu, Huiying Luo, Kun Meng, Yanli Cheng, Rui Ma, Pengjun Shi, Huoqing Huang, Yingguo Bai, Yaru Wang, Lujia Zhang*, Bin Yao* Plos One, 01 September 2015 New insights into the role of T3 loop in determining catalytic efficiency of GH28 endo-polygalacturonases Tao Tu, Kun Meng, Huiying Luo, Ossi Turunen, Lujia Zhang, Yanli Cheng, Xiaoyun Su, Rui Ma, Pengjun Shi, Yaru Wang, Peilong Yang, Bin Yao* Starch-Starke, 26 August 2015 A novel saccharifying a- amylase of Antarctic psychrotolerant fungi Geomyces pannorum: gene cloning, functional expression, and characterization Bei Gao, Youzhi Mao, Lujia Zhang*, Lei He, Dongzhi Wei Process Biochemistry, Volume 50, October 2015 Development of a novel Aspergillus uracil deficient expression system and its application in expressing a cold-adapted α-amylase gene from Antarctic fungi Geomyces pannorum Youzhi Mao, Yanchen Yin, Lujia Zhang, Siti Aisyah Alias, BeiGao*, DongzhiWei Journal of Agricultural and Food Chemistry, 23 March 2015 Novel α-L-Arabinofuranosidase from Cellulomonas fimi ATCC 484 and its substrate -specificity analysis with the aid of computer Ying Yang, Lujia Zhang, Mingrong Guo, Jiaqi Sun, Shingo Matsukawa, Jingli Xie*, Dongzhi Wei Febs Journal, 28 March 2015 A computational strategy for altering an enzyme in its cofactor preference to NAD(H) and/or NADP(H) Dongbing Cui, Lujia Zhang*, Shuiqin Jiang, Zhiqiang Yao, Bei Gao, Jinping Lin, Y. Adam Yuan, Dongzhi Wei* BMC Biotechnol, 24 December 2014 Cloning of a novel thermostable glucoamylase from thermophilic fungus Rhizomucor pusillus and high-level co-expression with α-amylase in Pichia pastoris Zhenggui He, Lujia Zhang, Youzhi Mao, Jingchao Gu, Qi Pan, Sixing Zhou, Bei Gao*, Dongzhi Wei* Proteins, 13 May 2014 Structural insights into substrate and coenzyme preference by SDR family protein Gox2253 from Gluconobater oxydans Bo Yin, Dongbing Cui, Lujia Zhang, Shuiqin Jiang, Satoru Machida, Y. Adam Yuan*, Dongzhi Wei* Protein science, 11 August 2014 Structural and mutational studies on an aldo-keto reductase AKR5C3 from Gluconobacter oxydans Xu Liu, Chao Wang, Lujia Zhang, Zhiqiang Yao, Dongbing Cui, Liang Wu, Jinping Lin*, YuRen Adam Yuan*, Dongzhi Wei Journal of Structural Biology, Volume 188, November 2014 Structural insights into enzymatic activity and substrate specificity determination by a single amino acid in nitrilase from Syechocystis sp. PCC6803 Lujia Zhang#, Bo Yin#, Chao Wang, Shuiqin Jiang, Hualei Wang, Y. Adam Yuan*, Dongzhi Wei* Bioresources and Bioprocessing, 09 October 2014 Virtual screening for angiotensin I-converting enzyme inhibitory peptides from Phascolosoma esculenta Yalan Liu, Lujia Zhang, Mingrong Guo, Hongxi Wu, Jingli Xie*, Dongzhi Wei Process Biochem, Volume 49, May 2014 In vitro and in vivo ACE inhibitory of pistachio hydrolysates and in silico mechanism of identified peptide binding with ACE Peng Li, Jia Jia, Ming Fang, Lujia Zhang, Mingrong Guo, Jingli Xie*, Yuelan Xia, Li Zhou, Dongzhi Wei BBA-proteins and Proteomics, Volume 1844, July 2014 Structure, mechanism, and enantioselectivity shifting of lipase LipK107 with a simple way Lujia Zhang, Bei Gao, Zuanning Yuan, Xiao He, Y. Adam Yuan, John Z.H. Zhang*, Dongzhi Wei* Protein science, 29 October 2013 A method to rationally increase protein stability based on the charge-charge interaction, with application to lipase LipK107 Lujia Zhang, Xiaomang Tang, Dongbing Cui, Zhiqiang Yao, Bei Gao, Shuiqin Jiang, Bo Yin, Y. Adam Yuan*, Dongzhi Wei* Journal of Biotechnology, Volume 167, 20 September 2013 Computational design of short-chain dehydrogenase Gox2181 for altered coenzyme specificity Dongbing Cui, Lujiang Zhang*, Zhiqiang Yao, Xu Liu, Jinping Lin, Y. Adam Yuan, Dongzhi Wei* Journal of Agricultural and Food Chemistry, 22 February 2013 Purification of xylitol dehydrogenase and improved production of xylitol by increasing XDH activity and NADH supply in Gluconobacter oxydans Jinliang Zhang, Sha Li, Hong Xu*, Peng Zhou, Lujia Zhang, Pingkai Ouyang Biochimie, Volume 94, June 2012 Structure- based characterization of canine-human chimeric uricases and its evolutionary implications Chun Zhang, Kai Fan, Weitao Zhang, Ruixin Zhu, Lujia Zhang, Dongzhi Wei* Journal of Molecular Catalysis B: enzymatic, Volume 71, September 2011 Construction of a whole-cell catalyst displaying a fungal lipase for effective treatment of oily wastewaters Huiting Song, Lichao Zhou, Lujia Zhang, Bei Gao, Dongzhi Wei, Yaling Shen, Rui Wang, Catherine Madzak, Zhengbing Jiang* Journal of Molecular Catalysis B: enzymatic, Volume 68, March 2011 Improving the catalytic activity of lipase LipK107 from Proteus sp. by site-directed mutagenesis in the lid domain based on computer simulation Bei Gao, Tao Xu, Jinping Lin, Lujia Zhang, Erzheng Su, Zhengbing Jiang, Dongzhi Wei* Biochimica ET Biophysica ACTA-Proteins and Proteomics, Volume 1804, December 2010 Template- based modeling of a psychrophilic lipase: conformational changes, novel structural features and its application in predicting the enantioselectivity of lipase catalyzed transesterification of secondary alcohols Tao Xu, Bei Gao, Lujia Zhang, Jingpin Lin, Xuedong Wang, Dongzhi Wei* Molecular Simulation, 24 November 2010 A novel protocol of energy optimisation for predicted protein structures built by homology modelling Tao Xu, Lujia Zhang, Xuedong Wang, Dongzhi Wei* Journal of Molecular Catalysis B: enzymatic, Volume 62, March 2010 Disparity in productive binding mode of the slow-reacting enantiomer determines the novel catalytic behavior of Candida antarctica lipase B Tao Xu, Lujia Zhang, Erzheng Su, Dongbing Cui, Xuedong Wang*, Dongzhi Wei* BMC Bioinformatics, 21 August 2009 Structure-based substrate screening for an enzym Tao Xu, Lujia Zhang, Xuedong Wang*, Dongzhi Wei* Qun Wu, Hong Xu*, Lujia Zhang, Jun Yao, Pingkai Ouyang, Volume 43, December 2006 Production, purification and properties of γ-glutamyltranspeptidase from a newly isolated Bacillus subtilis NX-2

学术兼职

中国食品学会,酶制剂分会,理事 上海市生物工程学会青年委员会,委员 国家自然科学基金通讯评议专家 上海市人才及科技奖励评审专家 上海市政府采购评审专家 国际学术期刊编委:Frontiersin Molecular Biosciences 国际学术期刊审稿人:ACS Synthesis Biology,Plos One,BBA-Proteins and Proteomics,Chemical Biology & Drug Design,Journal of Bioscience and Bioengineering,Biotechnology and Bioprocess Engineering

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