分子模拟，药物设计

   

070304-物理化学（含：化学物理）

计算机辅助药物设计

2004-09--2009-12   中国科学院研究生院   理学博士
1999-09--2003-07   北京大学医学部   理学学士

   

2013-01~现在, 中国科学院大学, 讲师,副教授
2010-07~2012-12,中国科学院大学, 师资博士后

化学原理
物质分离与分析实验
化学原理习题课-2
物质分离与分析实验-2班
物质分离与分析实验-4班
物质分离与分析实验-6班
物质分离与分析实验-8班
物质分离与分析实验-10班
物质分离与分析实验-1班
物质分离与分析实验-3班
物质分离与分析实验-5班
物质分离与分析实验-7班
物质分离与分析实验-9班
计算化学实验
基础化学实验Ⅳ（物理化学实验）
无机化学实验（基础化学实验Ⅰ）
无机化学实验
化学原理习题课-3
无机化学
物质分析与表征实验
化学原理（助教）
无机化学（助教）
化学原理(助教)
化学原理习题课01
无机化学习题课02
无机化学(助教)
生物分子结构化学
药物化学
计算机辅助药物设计
计算机辅助药物分子设计
文献阅读

   

[1] Hu, Ye, Gan, Zhongdong, Xin, Shixian, Fang, Wenhui, Li, Min, Wang, Yanlei, Cui, Wei, Zhao, Hong, Li, Zengxi, Zhang, Xiangping. High performance carbon dioxide electroreduction in ionic liquids with in situ shell-isolated nanoparticle-enhanced Raman spectroscopy. CHEMICAL ENGINEERING JOURNAL[J]. 2023, 第 7 作者451: http://dx.doi.org/10.1016/j.cej.2022.138975.
[2] Guan, Jiazhu, Feng, Xinping, Zeng, Qinghui, Li, Zhenfeng, Liu, Yu, Chen, Anqi, Wang, Honghao, Cui, Wei, Liu, Wei, Zhang, Liaoyun. A New In Situ Prepared MOF-Natural Polymer Composite Electrolyte for Solid Lithium Metal Batteries with Superior High- Rate Capability and Long-Term Cycling Stability at Ultrahigh Current Density. ADVANCED SCIENCE[J]. 2023, 第 8 作者  通讯作者  10(3): http://dx.doi.org/10.1002/advs.202203916.
[3] Guo, Mingming, Ji, Mingjuan, Cui, Wei. Theoretical investigation of HER/OER/ORR catalytic activity of single atom-decorated graphyne by DFT and comparative DOS analyses. APPLIED SURFACE SCIENCE[J]. 2022, 第 3 作者  通讯作者  592: http://dx.doi.org/10.1016/j.apsusc.2022.153237.
[4] Ming Liu, Weier Bao, Xinping Feng, Jiaqi Meng, Siyuan Liu, Wei Cui, Yishi Wu, Zhiyuan Tian. A double donor-π-acceptor type hydrogen sulfide fluorescent probe with nanomolar level sensitivity and second level response time for evaluating metformin-induced hepatotoxicity. SENSORS AND ACTUATORS: B. CHEMICAL. 2022, 第 6 作者359: 
[5] Wu, Ya, Bu, Xinya, Ke, Yongqi, Sun, Huaming, Li, Jingyao, Chen, Lu, Cui, Wei, He, Yujian, Wu, Li. Insight into the Stereocontrol of DNA Polymerase-Catalysed Reaction by Chiral Cobalt Complexes. ADVANCED SYNTHESIS & CATALYSIS[J]. 2022, 第 7 作者364(16): 2760-2771, http://dx.doi.org/10.1002/adsc.202200418.
[6] Guan, Jiazhu, Feng, Xinping, Zeng, Qinghui, Li, Zhenfeng, Liu, Yu, Chen, Anqi, Wang, Honghao, Cui, Wei, Liu, Wei, Zhang, Liaoyun. A New In Situ Prepared MOF-Natural Polymer Composite Electrolyte for Solid Lithium Metal Batteries with Superior High- Rate Capability and Long-Term Cycling Stability at Ultrahigh Current Density. ADVANCED SCIENCE[J]. 2022, 第 8 作者  通讯作者  10(3): 2203916, http://dx.doi.org/10.1002/advs.202203916.
[7] Han, Di, Wang, Huiqun, Wujieti, Baerlike, Zhang, Beibei, Cui, Wei, Chen, BoZhen. Insight into the drug resistance mechanisms of GS-9669 caused by mutations of HCV NS5B polymerase via molecular simulation. COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL[J]. 2021, 第 5 作者  通讯作者  19: 2761-2774, https://doaj.org/article/fadf596756f349f8b259ecc2cc70a92b.
[8] Liu, Ju, Wang, Yanlei, Wang, Chenlu, Gao, Jinai, Cui, Wei, Zhao, Baofeng, Zhang, Lihua, He, Hongyan, Zhang, Suojiang. Thermodynamical Origin of Nonmonotonic Inserting Behavior of Imidazole Ionic Liquids into the Lipid Bilayer. JOURNAL OF PHYSICAL CHEMISTRY LETTERS[J]. 2021, 第 5 作者12(40): 9926-9932, http://dx.doi.org/10.1021/acs.jpclett.1c02566.
[9] Liu, Siyuan, Liu, Ming, Guo, Mingming, Wang, Zicheng, Wang, Xuefei, Cui, Wei, Tian, Zhiyuan. Development of Eu-based metal-organic frameworks (MOFs) for luminescence sensing and entrapping of arsenate ion. JOURNAL OF LUMINESCENCE[J]. 2021, 第 6 作者236: http://dx.doi.org/10.1016/j.jlumin.2021.118102.
[10] Chuanfang Zhao, Liyan Hu, Juan Ma, Wei Cui, Yang Jing, Yuguo Du. Efforts toward rational design of Th2-bias immune stimulator through modification on D-Gal-C-4 of α-GalCer derivative. TETRAHEDRON. 2021, 第 4 作者89: http://dx.doi.org/10.1016/j.tet.2021.132168.
[11] Fang, Wenhui, Wang, Jing, Hu, Ye, Cui, Xiaoqing, Zhu, Ruifeng, Zhang, Yuhua, Yue, Chaochao, Dang, Jiaqi, Cui, Wei, Zhao, Hong, Li, Zengxi. Metal-organic framework derived Fe-Co-CN/re duce d graphene oxide for efficient HER and OER. ELECTROCHIMICA ACTA[J]. 2021, 第 9 作者365: http://dx.doi.org/10.1016/j.electacta.2020.137384.
[12] Zhao, Chuanfang, Hu, Liyan, Ma, Juan, Cui, Wei, Jing, Yang, Du, Yuguo. Efforts toward rational design of Th2-bias immune stimulator through modification on D-Gal-C-4 of alpha-GalCer derivative. TETRAHEDRON[J]. 2021, 第 4 作者89: http://dx.doi.org/10.1016/j.tet.2021.132168.
[13] Wang, Hongbing, Xiang, Yao, Guo, Mingming, Su, Jiana, Wang, Gongying, Cui, Wei, Deng, Zhiyong. Synthesis of Diethyl Carbonate in Liquid Phase Oxidative Carbonylation over Activated Carbon-Supported Chloride-Free Cu-Based Catalysts. ENERGY & FUELS[J]. 2020, 第 6 作者  通讯作者  34(7): 8697-8706, https://www.webofscience.com/wos/woscc/full-record/WOS:000551544900078.
[14] Li, JinKuo, Shao, MingYue, Yu, Miao, Zhang, Weifeng, Yang, ZhiYong, Yu, Gui, Xu, Jingcheng, Cui, Wei. Revealing the Influences of Solvent Boiling Point and Alkyl Chains on the Adlayer Crystallinity of Furan-Diketopyrrolopyrrole-Thienylene Copolymer at Molecular Level. LANGMUIR[J]. 2020, 第 8 作者  通讯作者  36(1): 141-147, http://dx.doi.org/10.1021/acs.langmuir.9b02604.
[15] Wang Dan. Dual‐Defects Adjusted Crystal Field Splitting of LaCo1‐xNixO3‐δ Hollow Multishelled Structures for Efficient Oxygen Evolution. Angewandte Chemie International Edition. 2020, 
[16] Wang, Huan, Qi, Jian, Yang, Nailiang, Cui, Wei, Wang, Jiangyan, Li, Qinghao, Zhang, Qinghua, Yu, Xiqian, Gu, Lin, Li, Jiong, Yu, Ranbo, Huang, Keke, Song, Shuyan, Feng, Shouhua, Wang, Dan. Dual-Defects Adjusted Crystal-Field Splitting of LaCo(1-x)Ni(x)O(3-delta)Hollow Multishelled Structures for Efficient Oxygen Evolution (co-first author). Angewandte Chemie-International Edition[J]. 2020, 第 4 作者59(44): 19691-19695, https://www.webofscience.com/wos/woscc/full-record/WOS:000552352400001.
[17] Han, Di, Wang, Huiqun, Cui, Wei, Zhang, Beibei, Chen, BoZhen. Computational insight into the mechanisms of action and selectivity of Afraxis PAK inhibitors. FUTURE MEDICINAL CHEMISTRY[J]. 2020, 第 3 作者12(5): 367-386, https://www.webofscience.com/wos/woscc/full-record/WOS:000525661600003.
[18] Ji, Shuai, Wang, Yujie, Gao, Shikai, Shao, Xian, Cui, Wei, Du, Yan, Guo, Mengzhe, Tang, Daoquan. Highly efficient and selective extraction of minor bioactive natural products using pure ionic liquids: Application to prenylated flavonoids in licorice. JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY[J]. 2019, 第 5 作者80: 352-360, http://dx.doi.org/10.1016/j.jiec.2019.08.014.
[19] Deng Bo, Cui Wei, Ma Shuang, Liu Xiaona, Zhang Zhan, Yan Baiyi, Chen Kun, Xie Ying. Molecular basis for rational construction of RVGP modified liposomal delivery system targeting to brain. JOURNAL OF CHINESE PHARMACEUTICAL SCIENCES[J]. 2019, 第 2 作者28(7): 484-501, http://sciencechina.cn/gw.jsp?action=detail.jsp&internal_id=6562920&detailType=1.
[20] Cui Wei. 5. Modeling the molecular interactions of budesonide with bovine serum albumin guides the rational preparation of nanoparticles for pulmonary delivery. Journal of Chinese Pharmaceutical Sciences. 2018, 第 1 作者
[21] Yang, Xiaoliang, Wang, Zihua, Xiang, Zhichu, Li, Dan, Hu, Zhiyuan, Cui, Wei, Geng, Lingling, Fang, Qiaojun. Peptide probes derived from pertuzumab by molecular dynamics modeling for HER2 positive tumor imaging. PLOS COMPUTATIONAL BIOLOGY[J]. 2017, 第 6 作者  通讯作者  13(4): https://doaj.org/article/454c09050465481aab284dcced9e9726.
[22] Cui Wei. 5. In vivo study of doxorubicin-loaded cell-penetrating peptide-modified pH-sensitive liposomes: biocompatibility, bio-distribution, and pharmacodynamics in BALB/c nude mice bearing human breast tumors. DRUG DESIGN DEVELOPMENT AND THERAPY. 2017, 第 1 作者
[23] Ding, Yuan, Cui, Wei, Sun, Dan, Wang, GuiLing, Hei, Yu, Meng, Shuai, Chen, JianHua, Xie, Ying, Wang, ZhiQiang. In vivo study of doxorubicin-loaded cell-penetrating peptide-modified pH-sensitive liposomes: biocompatibility, bio-distribution, and pharmacodynamics in BALB/c nude mice bearing human breast tumors. DRUG DESIGN DEVELOPMENT AND THERAPY[J]. 2017, 第 2 作者11: 3105-3117, https://doaj.org/article/61764700298042e4988b7b638912618c.
[24] Cui, Wei, Liang, Yan, Tian, Weixi, Ji, Mingjuan, Ma, Xiaofeng. Regulating effect of beta-ketoacyl synthase domain of fatty acid synthase on fatty acyl chain length in de novo fatty acid synthesis. BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR AND CELL BIOLOGY OF LIPIDS[J]. 2016, 第 1 作者1861(3): 149-155, http://dx.doi.org/10.1016/j.bbalip.2015.12.002.
[25] Wang, Huiqun, Cui, Wei, Guo, Chenchen, Chen, BoZhen, Ji, Mingjuan. Molecular modeling study on the drug resistance mechanism of NS5B polymerase to TMC647055. BIOCHEMISTRY AND CELL BIOLOGY[J]. 2016, 第 2 作者94(2): 147-158, http://dx.doi.org/10.1139/bcb-2015-0109.
[26] Lin, ShaoHui, Cui, Wei, Wang, GuiLing, Meng, Shuai, Liu, YingChun, Jin, HongWei, Zhang, LiangRen, Xie, Ying. Combined computational and experimental studies of molecular interactions of albuterol sulfate with bovine serum albumin for pulmonary drug nanoparticles. DRUG DESIGN DEVELOPMENT AND THERAPY[J]. 2016, 第 2 作者10: 2973-2987, http://www.corc.org.cn/handle/1471x/2374753.
[27] Wei Cui, Yan Liang, Weixi Tian, Mingjuan Ji, Xiaofeng Ma. Regulating effect of β-ketoacyl synthase domain of fatty acid synthase on fatty acyl chain length in de novo fatty acid synthesis. BBA - MOLECULAR AND CELL BIOLOGY OF LIPIDS. 2016, 第 1 作者1861(3): 149-155, http://dx.doi.org/10.1016/j.bbalip.2015.12.002.
[28] Li, Qun, Cui, Wei, Tian, Jingqi, Xing, Zhicai, Liu, Qian, Xing, Wei, Asiri, Abdullah M, Sun, Xuping. N-Doped Carbon-Coated Tungsten Oxynitride Nanowire Arrays for Highly Efficient Electrochemical Hydrogen Evolution. CHEMSUSCHEM[J]. 2015, 第 2 作者8(15): 2487-2491, http://www.irgrid.ac.cn/handle/1471x/1037493.
[29] Gao, Jian, Cui, Wei, Du, Yuguo, Ji, Mingjuan. Insight into the molecular mechanism about lowered dihydrofolate binding affinity to dihydrofolate reductase-like 1 (DHFRL1). JOURNAL OF MOLECULAR MODELING[J]. 2013, 第 2 作者19(12): 5187-5198, http://dx.doi.org/10.1007/s00894-013-2018-2.
[30] Cui Wei, Liang Desheng, Gao Jian, Luo Fang, Geng Lingling, Ji Mingjuan. Molecular dynamics and free energy studies of chirality specificity effects on aminobenzoaquinolizine inhibitors binding to DPP-IV. JOURNAL OF MOLECULAR MODELING[J]. 2013, 第 1 作者19(3): 1167-1177, https://www.webofscience.com/wos/woscc/full-record/WOS:000315349800019.
[31] Cui, Wei, Cheng, YuanHua, Geng, LingLing, Liang, DenSheng, Hou, TingJun, Ji, MingJuan. Unraveling the Allosteric Inhibition Mechanism of PTP1B by Free Energy Calculation Based on Umbrella Sampling. JOURNAL OF CHEMICAL INFORMATION AND MODELING[J]. 2013, 第 1 作者53(5): 1157-1167, http://dx.doi.org/10.1021/ci300526u.
[32] Gao, Jian, Cheng, Yuanhua, Cui, Wei, Zhang, Fushi, Zhang, Huai, Du, Yuguo, Ji, Mingjuan. Prediction of the binding modes between macrolactin N and peptide deformylase from Staphylococcus aureus by molecular docking and molecular dynamics simulations. MEDICINAL CHEMISTRY RESEARCH[J]. 2013, 第 3 作者22(6): 2889-2901, https://www.webofscience.com/wos/woscc/full-record/WOS:000317988100035.
[33] Li, Ming, Wang, Jun, Tan, ShiYun, Chen, JianHua, Cui, Wei, Chen, ZhiQiang, Zhang, Jian. Growth inhibition effect of peptide P110 plus cisplatin on various cancer cells and xenotransplanted tumors in mice. MOLECULAR MEDICINE REPORTS[J]. 2013, 第 5 作者7(4): 1149-1154, http://dx.doi.org/10.3892/mmr.2013.1343.
[34] 陈志强, 崔巍, 谭诗云, 陈建华, 刘军, 张剑, 陈彩虹. 多肽P110增强顺铂对结肠癌HCT-116细胞增殖和小鼠移植瘤生长的抑制作用. 中华肿瘤杂志[J]. 2012, 第 2 作者34(11): 816-820, https://d.wanfangdata.com.cn/periodical/zhzl201211004.
[35] Gao, Jian, Cheng, Yuanhua, Cui, Wei, Chen, Quan, Zhang, Fushi, Du, Yuguo, Ji, Mingjuan. 3D-QSAR and molecular docking studies of hydroxamic acids as peptide deformylase inhibitors. MEDICINAL CHEMISTRY RESEARCH[J]. 2012, 第 3 作者21(8): 1597-1610, http://dx.doi.org/10.1007/s00044-011-9672-7.
[36] Luo Fang, Gao Jian, Cheng YuanHua, Cui Wei, Ji MingJuan. Interaction Mechanisms of Inhibitors of Glucoamylase by Molecular Dynamics Simulations and Free Energy Calculations. ACTA PHYSICO-CHIMICA SINICA[J]. 2012, 第 4 作者28(9): 2191-2201, http://dx.doi.org/10.3866/PKU.WHXB201207063.
[37] 罗芳, 高剑, 成元华, 崔巍, 计明娟. 葡萄糖苷酶抑制剂作用机理的分子动力学模拟和自由能计算. 物理化学学报[J]. 2012, 第 4 作者28(9): 2191-2201, http://lib.cqvip.com/Qikan/Article/Detail?id=43007232.
[38] Geng, Lingling, Gao, Jian, Cui, Wei, Tang, Yancheng, Ji, Mingjuan, Chen, Bozhen. Computational insights into the selectivity mechanism of APP-IP over matrix metalloproteinases. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN[J]. 2012, 第 3 作者26(12): 1327-1342, http://dx.doi.org/10.1007/s10822-012-9617-3.
[39] Chen, Quan, Cui, Wei, Cheng, Yuanhua, Zhang, Fushi, Ji, Mingjuan. Studying the mechanism that enables paullones to selectively inhibit glycogen synthase kinase 3 rather than cyclin-dependent kinase 5 by molecular dynamics simulations and free-energy calculations. JOURNAL OF MOLECULAR MODELING[J]. 2011, 第 2 作者17(4): 795-803, https://www.webofscience.com/wos/woscc/full-record/WOS:000289531300017.
[40] Liang Desheng, Gao Jian, Cheng Yuanhua, Cui Wei, Zhang Huai, Ji Mingjuan. Molecular dynamics simulations and MM/GBSA methods to investigate binding mechanisms of aminomethylpyrimidine inhibitors with DPP-IV. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS[J]. 2011, 第 4 作者21(22): 6630-6635, http://dx.doi.org/10.1016/j.bmcl.2011.09.093.
[41] Cheng, Yuanhua, Zhang, Fushi, Chen, Quan, Gao, Jian, Cui, Wei, Ji, Mingjuan, Tung, ChenHo. Structural Basis of Specific Binding between Aurora A and TPX2 by Molecular Dynamics Simulations. JOURNAL OF CHEMICAL INFORMATION AND MODELING[J]. 2011, 第 5 作者51(10): 2626-2635, https://www.webofscience.com/wos/woscc/full-record/WOS:000296044200017.
[42] Cheng, Yuanhua, Cui, Wei, Chen, Quan, Tung, ChenHo, Ji, Mingjuan, Zhang, Fushi. The molecular mechanism studies of chirality effect of PHA-739358 on Aurora kinase A by molecular dynamics simulation and free energy calculations. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN[J]. 2011, 第 2 作者25(2): 171-180, https://www.webofscience.com/wos/woscc/full-record/WOS:000286941500007.
[43] Cui, Wei, Wei, Zhuo, Chen, Quan, Cheng, Yuanhua, Geng, Lingling, Zhang, Jian, Chen, Jianhua, Hou, Tingjun, Ji, Mingjuan. Structure-Based Design of Peptides against G3BP with Cytotoxicity on Tumor Cells. JOURNAL OF CHEMICAL INFORMATION AND MODELING[J]. 2010, 第 1 作者50(3): 380-387, http://www.corc.org.cn/handle/1471x/2415413.
[44] 刘海波, 崔巍, 徐峻, 彭勇, 周家驹, 肖培根. 中药活性成分对血栓素A2受体抑制作用的分子模拟. 物理化学学报[J]. 2010, 第 2 作者2549-2556, http://lib.cqvip.com/Qikan/Article/Detail?id=35481478.
[45] Liu HaiBo, Cui Wei, Xu Jun, Peng Yong, Zhou JiaJu, Xiao PeiGen. Molecular Simulations of the Inhibition of Active Components in Traditional Chinese Medicine on the Thromboxane A2 Receptor. ACTA PHYSICO-CHIMICA SINICA[J]. 2010, 第 2 作者26(9): 2549-2556, http://dx.doi.org/10.3866/PKU.WHXB20100844.
[46] Zhang, Huihui, Cao, Dong, Cui, Wei, Ji, Mingjuan, Qian, Xiaohong, Zhong, Liangwei. Molecular bases of thioredoxin and thioredoxin reductase-mediated prooxidant actions of (-)-epigallocatechin-3-gallate. FREE RADICAL BIOLOGY AND MEDICINE[J]. 2010, 第 3 作者49(12): 2010-2018, http://www.corc.org.cn/handle/1471x/2412291.
[47] Du, Yatao, Wu, Yunfei, Cao, Xueli, Cui, Wei, Zhang, Huihui, Tian, Weixi, Ji, Mingjuan, Holmgren, Arne, Zhong, Liangwei. Inhibition of mammalian thioredoxin reductase by black tea and its constituents: Implications for anticancer actions. BIOCHIMIE[J]. 2009, 第 4 作者91(3): 434-444, http://www.corc.org.cn/handle/1471x/2397240.
[48] Cui Wei, Zhang Huai, Ji MingJuan. Molecular Dynamics Simulations and Free Energy Calculations of a Novel Series of Protein Tyrosine Phosphatase 1B Difluoromethylenephosphonic Acid Inhibitors. ACTA PHYSICO-CHIMICA SINICA[J]. 2009, 第 1 作者25(4): 668-676, http://www.corc.org.cn/handle/1471x/2402605.
[49] 魏卓, 张怀, 崔巍, 计明娟. 马来酰胺类糖原合成酶激酶-3β抑制剂的分子对接和三维定量构效关系. 物理化学学报[J]. 2009, 第 3 作者890-896, http://lib.cqvip.com/Qikan/Article/Detail?id=30432646.
[50] 崔巍, 张怀, 计明娟. 新型二氟甲基磷酸类酪氨酸蛋白磷酸酯酶1B抑制剂的分子动力学模拟和结合自由能计算（英文）. 物理化学学报[J]. 2009, 第 1 作者668-676, http://lib.cqvip.com/Qikan/Article/Detail?id=30062065.
[51] Cui, Wei, Xi, Zairong, Pan, Yu. The entanglement dynamics of the bipartite quantum system: toward entanglement sudden death. JOURNAL OF PHYSICS A-MATHEMATICAL AND THEORETICAL[J]. 2009, 第 1 作者  通讯作者  42(2): 
[52] Cui Wei, Zhang Huai, Ji MingJuan. Molecular Dynamics Simulations and Free Energy Calculations of a Novel Series of Protein Tyrosine Phosphatase 1B Difluoromethylenephosphonic Acid Inhibitors. ACTA PHYSICO-CHIMICA SINICA[J]. 2009, 第 1 作者25(4): 668-676, http://www.corc.org.cn/handle/1471x/2402605.
[53] Wei Zhuo, Zhang Huai, Cui Wei, Ji MingJuan. Molecular Docking and 3D-QSAR on Maleimide Derivatives as Glycogen Synthase Kinase-3 beta Inhibitors. ACTA PHYSICO-CHIMICA SINICA[J]. 2009, 第 3 作者25(5): 890-896, http://www.corc.org.cn/handle/1471x/2396642.
[54] Chen, Quan, Cui, Wei, Ji, Mingjuan. Studies of chirality effect of 4-(phenylamino)-pyrrolo2,1-f1,2,4triazine on p38 alpha by molecular dynamics simulations and free energy calculations. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN[J]. 2009, 第 2 作者23(10): 737-745, http://www.corc.org.cn/handle/1471x/2402619.
[55] Fang, Lei, Zhang, Huai, Cui, Wei, Ji, Mingjun. Studies of the Mechanism of Selectivity of Protein Tyrosine Phosphatase 113 (PTP1B) Bidentate Inhibitors Using Molecular Dynamics Simulations and Free Energy Calculations. JOURNAL OF CHEMICAL INFORMATION AND MODELING[J]. 2008, 第 3 作者48(10): 2030-2041, http://www.corc.org.cn/handle/1471x/2385112.

   

（ 1 ） 基于立百病毒受体复合物的脑靶向载药多肽设计, 主持, 国家级, 2015-01--2017-12
（ 2 ） 分子动力学模拟研究, 主持, 研究所（学校）, 2017-12--2019-12

已指导学生

马彩霞  硕士研究生  085216-化学工程  

现指导学生

向瑶  硕士研究生  085216-化学工程  

吾杰提·巴尔力克  硕士研究生  085216-化学工程