基本信息

朱维良  男  博导  中国科学院上海药物研究所
电子邮件: wlzhu@simm.ac.cn
通信地址: 上海浦东张江高科祖冲之路555号
邮政编码: 201203

研究领域

分子模拟与药物设计

药物化学

招生信息

药物设计学

药物化学

招生专业
100720-药物设计学
070320-计算机化学
招生方向
药物设计
分子模拟
计算化学

教育背景

1995-09--1998-04   中科院上海药物研究所   博士学位
1986-09--1988-07   苏州大学化学系   硕士学位
1979-09--1983-07   扬州大学化学化工学院   学士学位

工作经历

   
工作简历
2009-04~现在, 中科院上海药物研究所, 药物发现与设计中心主任
2004-07~现在, 中科院上海药物研究所, 研究员、博士生导师
1998-05~2004-07,新加坡理工学院生命科学技术中心, 讲师
1989-08~1995-08,扬州大学农学院, 助教、讲师
1983-08~1986-08,扬州大学农学院, 助教
社会兼职
2016-03-01-今,Scientific Consultant, UCB Pharma,
2015-01-01-今,《药学学报》, 编委
2014-07-01-今,中国化学会计算机化学专业委员会, 副主任委员
2013-10-01-今,《Future Medicinal Chemistry》, 编委

教授课程

药物设计学
分子模拟与药物设计
药物分子设计系列讲座
分子模拟及药物设计

出版信息

   
发表论文
[1] Zhang, Yong, Li, Hao, Xu, Zhijian, Shi, Yulong, Li, Bo, Li, Jia, Aisa, Haji Akber, Zang, Yi, Zhu, Weiliang. Three new feruloyl glucuronopyranosyl glycerols from Eriocaulon buergerianum with their anti-fibrotic effects on hepatic stellate cells. NATURAL PRODUCT RESEARCH[J]. 2023, 37(6): 956-966, http://dx.doi.org/10.1080/14786419.2022.2099387.
[2] Long, Yiru, Sun, Jianhua, Song, TianZhang, Liu, Tingting, Tang, Feng, Zhang, Xinxin, Ding, Longfei, Miao, Yunqiu, Zhu, Weiliang, Pan, Xiaoyan, An, Qi, Qin, Mian, Tong, Xiankun, Peng, Xionghua, Yu, Pan, Zhu, Peng, Xu, Jianqing, Zhang, Xiaoyan, Zhang, Yachun, Liu, Datao, Chen, Ben, Chen, Huilin, Zhang, Leike, Xiao, Gengfu, Zuo, Jianping, Tang, Wei, Zhou, Ji, Li, Heng, Xu, Zhijian, Zheng, HongYi, Long, XinYan, Qin, Qiuping, Gan, Yong, Ren, Jin, Huang, Wei, Zheng, YongTang, Jin, Guangyi, Gong, Likun. CoVac501, a self-adjuvanting peptide vaccine conjugated with TLR7 agonists, against SARS-CoV-2 induces protective immunity. CELL DISCOVERY[J]. 2022, 8(1): https://doaj.org/article/3c59c092141d418c8f84164569078712.
[3] Han, Jiaxin, Liu, Tingting, Zhang, Xinben, Yang, Yanqing, Shi, Yulong, Li, Jintian, Ma, Minfei, Zhu, Weiliang, Gong, Likun, Xu, Zhijian. D3AI-Spike: A deep learning platform for predicting binding affinity between SARS-CoV-2 spike receptor binding domain with multiple amino acid mutations and human angiotensin-converting enzyme 2. COMPUTERS IN BIOLOGY AND MEDICINE[J]. 2022, 151: http://dx.doi.org/10.1016/j.compbiomed.2022.106212.
[4] 李炳祎, 张勇, 贾琦, 李医明, 朱维良. 毛裂蜂斗菜中的1个新的倍半萜化合物. 中草药[J]. 2022, 53(12): 3581-3586, http://lib.cqvip.com/Qikan/Article/Detail?id=7107530484.
[5] Li, Tengteng, Peng, Cheng, Wang, Jiqiu, Xu, Zhijian, Su, Mingbo, Li, Jia, Zhu, Weiliang, Li, Jingya. Distal mutation V486M disrupts the catalytic activity of DPP4 by affecting the flap of the propeller domain. ACTA PHARMACOLOGICA SINICA[J]. 2022, 43(8): 2147-2155, [6] 彭诚, 吴乐云, 徐志建, 朱维良. 副本交换分子动力学. 化学进展[J]. 2022, 34(2): 384-396, http://lib.cqvip.com/Qikan/Article/Detail?id=7107135640.
[7] Zhou, Liping, Liu, Tingting, Mo, Mengxia, Shi, Yulong, Wu, Leyun, Li, Yishui, Qin, Qiuping, Zhu, Weiliang, Wu, Chengkun, Gong, Likun, Xu, Zhijian. Exploring the Binding Affinity and Mechanism between ACE2 and the Trimers of Delta and Omicron Spike Proteins by Molecular Dynamics Simulation and Bioassay. JOURNAL OF CHEMICAL INFORMATION AND MODELING[J]. 2022, 62(18): 4512-4522, [8] 张勇, 阿吉艾克拜尔艾萨, 朱维良. 谷精草中1个新的黄酮苷类化合物. 药学学报[J]. 2022, 57(7): 2139-2145, http://lib.cqvip.com/Qikan/Article/Detail?id=7107816370.
[9] Wu, Leyun, Peng, Cheng, Yang, Yanqing, Shi, Yulong, Zhou, Liping, Xu, Zhijian, Zhu, Weiliang. Exploring the immune evasion of SARS-CoV-2 variant harboring E484K by molecular dynamics simulations. BRIEFINGS IN BIOINFORMATICS[J]. 2022, 23(1): http://dx.doi.org/10.1093/bib/bbab383.
[10] Huang, Yichen, Jin, Fei, Funato, Yosuke, Xu, Zhijian, Zhu, Weiliang, Wang, Jing, Sun, Minxuan, Zhao, Yimeng, Yu, Ye, Miki, Hiroaki, Hattori, Motoyuki. Structural basis for the Mg2+ recognition and regulation of the CorC Mg2+ transporter. SCIENCE ADVANCES[J]. 2021, 7(7): http://dx.doi.org/10.1126/sciadv.abe6140.
[11] Yang, Yanqing, Zhu, Zhengdan, Wang, Xiaoyu, Zhang, Xinben, Mu, Kaijie, Shi, Yulong, Peng, Cheng, Xu, Zhijian, Zhu, Weiliang. Ligand-based approach for predicting drug targets and for virtual screening against COVID-19. BRIEFINGS IN BIOINFORMATICS[J]. 2021, 22(2): 1053-1064, https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7929377/.
[12] 龙泽海, 王琦瑶, 李波, 张勇, 贾琦, 李医明, 朱维良. 密蒙花中的1个新的环烯醚萜苷类化合物. 中草药[J]. 2021, 52(1): 35-44, https://nxgp.cnki.net/kcms/detail?v=3uoqIhG8C46NmWw7YpEsKMypi3qVj28LEUDxQXHYyS3fbyEOrIfBzDL3Cre5s0zW_erlvb3ox0-gDRWkCzN_zUrAq8ZIOQnj&uniplatform=NZKPT.
[13] Gao, Xuejie, Li, Bo, Ye, Anqi, Wang, Houcai, Xie, Yongsheng, Yu, Dandan, Xu, Zhijian, Shi, Bingqing, Zhang, Hui, Feng, Qilin, Hu, Ke, Zhang, Yong, Huang, Cheng, Yang, Guang, Shi, Jumei, Zhu, Weiliang. A novel phosphoramide compound, DCZ0805, shows potent anti-myeloma activity via the NF-kappa B pathway. CANCER CELL INTERNATIONAL[J]. 2021, 21(1): http://dx.doi.org/10.1186/s12935-021-01973-1.
[14] Hu, Ke, Li, Bo, Ma, Ruye, Yi, Hongfei, Xu, Zhijian, Peng, Yu, Yu, Dandan, Wu, Huiqun, Cheng, Taofang, Lu, Yumeng, Zhang, Yong, Wei, Rong, Yang, Guang, Wu, Xiaosong, Zhu, Weiliang, Shi, Jumei. Anti-DLBCL efficacy of DCZ0825 in vitro and in vivo: involvement of the PI3K-AKT-mTOR/JNK pathway. ACTA BIOCHIMICA ET BIOPHYSICA SINICA[J]. 2021, 53(5): 575-583, http://lib.cqvip.com/Qikan/Article/Detail?id=7104769513.
[15] Li, Bo, Li, Heng, Zhu, Zhengdan, Xiang, Caigui, Xu, Zhijian, Fan, Chen, Zhao, Yitian, Feng, Chunlan, Sun, Haiguo, Zhang, Yong, Cai, Tingting, Tang, Wei, Zhu, Weiliang. Discovery of chiral N-2 '-aryletheryl-1 '-alkoxy-ethyl substituted arylisoquinolones with anti-inflammatory activity from the nucleophilic addition reactions of the thiophenols and oxazolinium. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY[J]. 2021, 222: http://dx.doi.org/10.1016/j.ejmech.2021.113583.
[16] Huang, Yichen, Mu, Kaijie, Teng, Xinyu, Zhao, Yimeng, Funato, Yosuke, Miki, Hiroaki, Zhu, Weiliang, Xu, Zhijian, Hattori, Motoyuki. Identification and mechanistic analysis of an inhibitor of the CorC Mg2+ transporter. ISCIENCE[J]. 2021, 24(4): https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8066426/.
[17] Peng, Cheng, Wang, Jinan, Shi, Yulong, Xu, Zhijian, Zhu, Weiliang. Increasing the Sampling Efficiency of Protein Conformational Change by Combining a Modified Replica Exchange Molecular Dynamics and Normal Mode Analysis. JOURNAL OF CHEMICAL THEORY AND COMPUTATION[J]. 2021, 17(1): 13-28, https://www.webofscience.com/wos/woscc/full-record/WOS:000610984100003.
[18] Wang, Xiaoyu, Zhang, Xinben, Peng, Cheng, Shi, Yulong, Li, Huiyu, Xu, Zhijian, Zhu, Weiliang. D3DistalMutation: a Database to Explore the Effect of Distal Mutations on Enzyme Activity. JOURNAL OF CHEMICAL INFORMATION AND MODELING[J]. 2021, 61(5): 2499-2508, http://dx.doi.org/10.1021/acs.jcim.1c00318.
[19] 龙泽海, 李炳祎, 王琪瑶, 李波, 张勇, 贾琦, 李医明, 朱维良. 密蒙花中1个新的己烯醇苷类化合物. 中国中药杂志[J]. 2021, 46(23): 6178-6184, http://lib.cqvip.com/Qikan/Article/Detail?id=7106454385.
[20] Zhao, Yitian, Xiong, Yuan, Dong, Sanfeng, Guan, Xiaoqing, Song, Yunqing, Yang, Yanqing, Zou, Kun, Li, Zhao, Zhang, Yong, Fang, Shengquan, Li, Bo, Zhu, Weiliang, Chen, Kaixian, Jia, Qi, Ge, Guangbo. Synthesis and Structure-Activity Relationships of 3-Arylisoquinolone Analogues as Highly Specific hCES2A Inhibitors. CHEMMEDCHEM[J]. 2021, 16(2): 388-398, https://www.webofscience.com/wos/woscc/full-record/WOS:000580962700001.
[21] Li, Tengteng, Peng, Cheng, Wang, Jiqiu, Xu, Zhijian, Su, Mingbo, Li, Jia, Zhu, Weiliang, Li, Jingya. Distal mutation V486M disrupts the catalytic activity of DPP4 by affecting the flap of the propeller domain. ACTA PHARMACOLOGICA SINICA[J]. 2021, 9-, https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8669218/.
[22] Dong, Sanfeng, Zhao, Yitian, Shi, Yulong, Xu, Zhijian, Shen, Jingshan, Jia, Qi, Li, Yiming, Chen, Kaixian, Li, Bo, Zhu, Weiliang. One step stereoselective synthesis of oxazoline-fused saccharides and their conversion into the corresponding 1,2-cis glycosylamines bearing various protected groups. ORGANIC & BIOMOLECULAR CHEMISTRY[J]. 2021, 19(7): 1580-1588, http://dx.doi.org/10.1039/d0ob02477e.
[23] Ding, Kewei, Li, Taoqi, Xu, Hongguang, Li, Yisu, Ge, Zhongxue, Zhu, Weiliang, Zheng, Weijun. Mass spectrometry detection of LiN12+ cluster and theoretical investigation of its structures and stability. CHEMICAL PHYSICS LETTERS[J]. 2020, 747: http://dx.doi.org/10.1016/j.cplett.2020.137310.
[24] 王晓宇, 彭诚, 杨延青, 石禹龙, 朱正诞, 穆凯洁, 李慧玉, 徐志建, 朱维良. 抗致病性冠状病毒活性化合物及其潜在靶标蛋白研究进展. 药学学报[J]. 2020, 55(10): 2340-, http://lib.cqvip.com/Qikan/Article/Detail?id=7103313868.
[25] Zhang, Dongdong, Ruan, Deqing, Li, Jingyi, Chen, Zhaoqiang, Zhu, Weiliang, Guo, Fujiang, Chen, Kaixian, Li, Yiming, Wang, Rui. Four undescribed sulfur-containing indole alkaloids with nitric oxide inhibitory activities from Isatis tinctoria L. roots. PHYTOCHEMISTRY[J]. 2020, 174: http://dx.doi.org/10.1016/j.phytochem.2020.112337.
[26] Xu, Kai, Li, Bo, Zhang, Shujie, Hu, Fangyuan, Xu, Zhijian, Li, Lei, Zhang, Yihan, Zhu, Weiliang, Zhao, Chen. DCZ3301, an aryl-guanidino agent, inhibits ocular neovascularization via PI3K/AKT and ERK1/2 signaling pathways. EXPERIMENTAL EYE RESEARCH[J]. 2020, 201: http://dx.doi.org/10.1016/j.exer.2020.108267.
[27] 杨永清, 尹磊淼, 朱维良, 王宇, 徐玉东, 陈艳焦. 源自针灸的靶标发现之科学路径:以针刺防治哮喘为例. 科学通报[J]. 2020, 65(32): 3520-3525, http://lib.cqvip.com/Qikan/Article/Detail?id=7103485669.
[28] Zhang, Dongdong, Sun, Yu, Chen, Zhaoqiang, Jia, Qi, Zhu, Weiliang, Chen, Kaixian, Li, Yiming, Wang, Rui. Bisindole alkaloids with nitric oxide inhibitory activities from an alcohol extract of the Isatis indigotica roots. FITOTERAPIA[J]. 2020, 146: http://dx.doi.org/10.1016/j.fitote.2020.104654.
[29] Chen, Jianzhong, Wang, Wei, Pang, Laixue, Zhu, Weiliang. Unveiling conformational dynamics changes of H-Ras induced by mutations based on accelerated molecular dynamics. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2020, 22(37): 21238-21250, https://www.webofscience.com/wos/woscc/full-record/WOS:000573875300024.
[30] Hu, Liangning, Li, Bo, Chen, Gege, Song, Dongliang, Xu, Zhijian, Gao, Lu, Xi, Mengyu, Zhou, Jinfeng, Li, Liping, Zhang, Hui, Feng, Qilin, Wang, Yingcong, Lu, Kang, Lu, Yumeng, Bu, Wenxuan, Wang, Houcai, Wu, Xiaosong, Zhu, Weiliang, Shi, Jumei. A novel M phase blocker, DCZ3301 enhances the sensitivity of bortezomib in resistant multiple myeloma through DNA damage and mitotic catastrophe. JOURNAL OF EXPERIMENTAL & CLINICAL CANCER RESEARCH[J]. 2020, 39(1): http://dx.doi.org/10.1186/s13046-020-01597-9.
[31] Peng, Cheng, Wang, Jinan, Xu, Zhijian, Cai, Tingting, Zhu, Weiliang. Accurate prediction of relative binding affinities of a series of HIV-1 protease inhibitors using semi-empirical quantum mechanical charge. JOURNAL OF COMPUTATIONAL CHEMISTRY[J]. 2020, 41(19): 1773-1780, https://www.webofscience.com/wos/woscc/full-record/WOS:000529628200001.
[32] Zhu, Zhengdan, Xu, Zhijian, Zhu, Weiliang. Interaction Nature and Computational Methods for Halogen Bonding: A Perspective. JOURNAL OF CHEMICAL INFORMATION AND MODELING[J]. 2020, 60(6): 2683-2696, https://www.webofscience.com/wos/woscc/full-record/WOS:000543717300008.
[33] Zhang, LiuQiang, Xue, HaiBing, Zhu, WeiLiang, Li, YiMing, Chen, KaiXian. Two new flavonoid glycosides isolated from the fruits of Catalpa ovata. PHARMACOGNOSY MAGAZINE[J]. 2020, 16(72): 812-816, https://www.webofscience.com/wos/woscc/full-record/WOS:000621667300019.
[34] Xi, Mengyu, He, Wan, Li, Bo, Zhou, Jinfeng, Xu, Zhijian, Wu, Huiqun, Zhang, Yong, Song, Dongliang, Hu, Liangning, Lu, Ye, Bu, Wenxuan, Kong, Yuanyuan, Chen, Gege, Chang, Shuaikang, Shi, Jumei, Zhu, Weiliang. Novel cyclophosphamide of natural products osalmide and pterostilbene induces cytotoxicity and cell cycle arrest in diffuse large B-cell lymphoma cells. ACTA BIOCHIMICA ET BIOPHYSICA SINICA[J]. 2020, 52(4): 401-410, http://lib.cqvip.com/Qikan/Article/Detail?id=7102221632.
[35] Shi, Yulong, Zhang, Xinben, Mu, Kaijie, Peng, Cheng, Zhu, Zhengdan, Wang, Xiaoyu, Yang, Yanqing, Xu, Zhijian, Zhu, Weiliang. D3Targets-2019-nCoV: a webserver for predicting drug targets and for multi-target and multi-site based virtual screening against COVID-19. ACTA PHARMACEUTICA SINICA B[J]. 2020, 10(7): 1239-1248, http://lib.cqvip.com/Qikan/Article/Detail?id=00002EKDLL3G7JP0MPDO2JP16PR.
[36] Zhang, Qihua, Smalley, Adam, Zhu, Zhengdan, Xu, Zhijian, Peng, Cheng, Chen, Zhaoqiang, Yao, Guangmin, Shi, Jiye, Zhu, Weiliang. Computational study of the substituent effect of halogenated fused-ring heteroaromatics on halogen bonding. JOURNAL OF MOLECULAR MODELING[J]. 2020, 26(10): http://dx.doi.org/10.1007/s00894-020-04534-x.
[37] Peng, Shaoliang, Zhang, Xiaoyu, Su, Wenhe, Dong, Dong, Lu, Yutong, Liao, Xiangke, Lu, Kai, Yang, Canqun, Liu, Jie, Zhu, Weiliang, Wei, Dongqing. High-Scalable Collaborated Parallel Framework for Large-Scale Molecular Dynamic Simulation on Tianhe-2 Supercomputer. IEEE-ACM TRANSACTIONS ON COMPUTATIONAL BIOLOGY AND BIOINFORMATICS[J]. 2020, 17(3): 804-816, https://www.webofscience.com/wos/woscc/full-record/WOS:000542948000009.
[38] He, Wan, Xu, Zhijian, Song, Dongliang, Zhang, Hui, Li, Bo, Gao, Lu, Zhang, Yong, Feng, Qilin, Yu, Dandan, Hu, Liangning, Chen, Gege, Tao, Yi, Wu, Xiaosong, Shi, Jumei, Zhu, Weiliang. Antitumor effects of rafoxanide in diffuse large B cell lymphoma via the PTEN/PI3K/Akt and JNK/c-Jun pathways. LIFE SCIENCES[J]. 2020, 243: http://dx.doi.org/10.1016/j.lfs.2019.117249.
[39] Wang, Yingcong, Huang, Jing, Li, Bo, Xue, Han, Tricot, Guido, Hu, Liangning, Xu, Zhijian, Sun, Xiaoxiang, Chang, Shuaikang, Gao, Lu, Tao, Yi, Xu, Hongwei, Xie, Yongsheng, Xiao, Wenqin, Yu, Dandan, Kong, Yuanyuan, Chen, Gege, Sun, Xi, Lian, Fulin, Zhang, Naixia, Wu, Xiaosong, Mao, Zhiyong, Khan, Fenghuang, Zhu, Weiliang, Shi, Jumei. A Small-Molecule Inhibitor Targeting TRIP13 Suppresses Multiple Myeloma Progression. CANCERRESEARCH[J]. 2020, 80(3): 536-548, https://www.webofscience.com/wos/woscc/full-record/WOS:000514161100017.
[40] Feng, Qilin, Yao, Qingchun, Li, Bo, Xie, Yongsheng, Zhang, Hui, Xu, Zhijian, Lu, Kang, Hu, Ke, Cheng, Yao, Shi, Bingqing, Huang, Cheng, Li, Liping, Wu, Xiaosong, You, Shanxi, Shi, Jumei, Zhu, Weiliang. Glycolysis is suppressed by DCZ0801-induced inactivation of the Akt/mTOR pathway in Multiple Myeloma. JOURNAL OF CANCER[J]. 2020, 11(16): 4907-4916, https://www.webofscience.com/wos/woscc/full-record/WOS:000549095900002.
[41] Peng, Cheng, Zhu, Zhengdan, Shi, Yulong, Wang, Xiaoyu, Mu, Kaijie, Yang, Yanqing, Zhang, Xinben, Xu, Zhijian, Zhu, Weiliang. Computational Insights into the Conformational Accessibility and Binding Strength of SARS-CoV-2 Spike Protein to Human Angiotensin-Converting Enzyme 2. JOURNAL OF PHYSICAL CHEMISTRY LETTERS[J]. 2020, 11(24): 10482-10488, http://dx.doi.org/10.1021/acs.jpclett.0c02958.
[42] Wang, Jinan, Peng, Cheng, Yu, Yuqu, Chen, Zhaoqiang, Xu, Zhijian, Cai, Tingting, Shao, Qiang, Shi, Jiye, Zhu, Weiliang. Exploring Conformational Change of Adenylate Kinase by Replica Exchange Molecular Dynamic Simulation. BIOPHYSICAL JOURNAL[J]. 2020, 118(5): 1009-1018, http://dx.doi.org/10.1016/j.bpj.2020.01.001.
[43] Wang, XiaoFeng, Zhu, Zhengdan, Hao, TingTing, Fang, QiangQiang, Jiang, Kun, Qu, ShiJin, Zuo, JiangPin, Zhu, Weiliang, He, ShiJun, Tan, ChangHeng. Alopecines A-E, five chloro-containing matrine-type alkaloids with immunosuppressive activities from the seeds of Sophora alopecuroides. BIOORGANIC CHEMISTRY[J]. 2020, 99: http://dx.doi.org/10.1016/j.bioorg.2020.103812.
[44] Xue, Haibing, Liu, Jingwen, Ma, Ganghua, Zhou, Xiaoyi, Sun, Liqin, Shi, Yingying, Zhu, Weiliang, Chen, Kaixian, Zhang, Liuqiang, Li, Yiming. Phenols and gamma-Lactams from the Aerial Part ofPseudolysimachion linariifoliumsubsp.dilatatum. CHEMISTRY & BIODIVERSITY[J]. 2020, 17(10): http://dx.doi.org/10.1002/cbdv.202000387.
[45] Abula, Amina, Xu, Zhijian, Zhu, Zhengdan, Peng, Cheng, Chen, Zhaoqiang, Zhu, Weiliang, Aisa, Haji Akber. Substitution Effect of the Trifluoromethyl Group on the Bioactivity in Medicinal Chemistry: Statistical Analysis and Energy Calculations. JOURNAL OF CHEMICAL INFORMATION AND MODELING[J]. 2020, 60(12): 6242-6250, https://www.webofscience.com/wos/woscc/full-record/WOS:000608875100061.
[46] Chen, Gege, Hu, Ke, Sun, Haiguo, Zhou, Jinfeng, Song, Dongliang, Xu, Zhijian, Gao, Lu, Lu, Ye, Cheng, Yao, Feng, Qilin, Zhang, Hui, Wang, Yingcong, Hu, Liangning, Lu, Kang, Wu, Xiaosong, Li, Bo, Zhu, Weiliang, Shi, Jumei. A novel phosphoramide compound, DCZ0847, displays in vitro and in vivo anti-myeloma activity, alone or in combination with bortezomib. CANCER LETTERS[J]. 2020, 478: 45-55, http://dx.doi.org/10.1016/j.canlet.2020.03.006.
[47] Lu, Kang, Li, Bo, Zhang, Hui, Xu, Zhijian, Song, Dongliang, Gao, Lu, Sun, Haiguo, Li, Liping, Wang, Yingcong, Feng, Qilin, Chen, Gege, Hu, Liangning, Wei, Rong, Xie, Yongsheng, Yu, Dandan, Wu, Xiaosong, Zhu, Weiliang, Shi, Jumei. A novel silicone derivative of natural osalmid (DCZ0858) induces apoptosis and cell cycle arrest in diffuse large B-cell lymphoma via the JAK2/STAT3 pathway. SIGNAL TRANSDUCTION AND TARGETED THERAPY[J]. 2020, 5(1): 2118-2128, http://lib.cqvip.com/Qikan/Article/Detail?id=7105275411.
[48] Shao, Qiang, Zhu, Weiliang. Ligand binding effects on the activation of the EGFR extracellular domain. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2019, 21(15): 8141-8151, https://www.webofscience.com/wos/woscc/full-record/WOS:000465260400043.
[49] Shao, Qiang, Yang, Lijiang, Zhu, Weiliang. Selective enhanced sampling in dihedral energy facilitates overcoming the dihedral energy increase in protein folding and accelerates the searching for protein native structure. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2019, 21(20): 10423-10435, https://www.webofscience.com/wos/woscc/full-record/WOS:000476561000017.
[50] Ding, Lixia, Wang, Lu, Zou, Kun, Li, Bo, Song, Yunqing, Zhang, Qihua, Zhao, Yitian, Xu, Zhijian, Ge, Guangbo, Zhao, Bo, Zhu, Weiliang. Discovery of dihydrooxazolo2,3-aisoquinoliniums as highly specific inhibitors of hCE2. RSC ADVANCES[J]. 2019, 9(61): 35904-35912, http://apps.webofknowledge.com/CitedFullRecord.do?product=UA&colName=WOS&SID=5CCFccWmJJRAuMzNPjj&search_mode=CitedFullRecord&isickref=WOS:000498861100062.
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[284] Zhu, Xuelian, Cai, Haiyan, Xu, Zhijian, Wang, Yong, Wang, Heyao, Zhang, Ao, Zhu, Weiliang. Classification of 5-HT1A receptor agonists and antagonists using GA-SVM method. ACTA PHARMACOLOGICA SINICA[J]. 2011, 32(11): 1424-1430, http://lib.cqvip.com/Qikan/Article/Detail?id=39912303.
[285] Weijun Xu, Gang Chen, Weiliang Zhu, Zhili Zuo. Identification of a sub-micromolar, non-peptide inhibitor of β-secretase with low neural cytotoxicity through in silico screening. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS. 2010, 20(19): 5763-5766, http://dx.doi.org/10.1016/j.bmcl.2010.07.140.
[286] 朱雪莲, 杨卓, 徐志建, 楼丽广, 朱维良. 靶向HSP90及HSP70的双效抑制剂. 2010, 78-, https://kns.cnki.net/KCMS/detail/detail.aspx?dbcode=CPFD&dbname=CPFD0914&filename=ZGHY201006016074&v=MDY3NjVyaWZaZVp2SGludFU3cktJVjhWUHlyRGQ3RzRIOUhNcVk5RVl1c0lDQk5LdWhkaG5qOThUbmpxcXhkRWVNT1VL.
[287] Chen, Zhi, Tian, Guanghui, Wang, Zhen, Jiang, Hualiang, Shen, Jingshan, Zhu, Weiliang. Multiple Pharmacophore Models Combined with Molecular Docking: A Reliable Way for Efficiently Identifying Novel PDE4 Inhibitors with High Structural Diversity. JOURNAL OF CHEMICAL INFORMATION AND MODELING[J]. 2010, 50(4): 615-625, https://www.webofscience.com/wos/woscc/full-record/WOS:000276915200016.
[288] 闫桂蕊, 张小东, 朱维良, 王贺瑶. 潜在的防治肥胖及糖尿病靶标——DGAT. 生命科学[J]. 2010, 173-178, http://lib.cqvip.com/Qikan/Article/Detail?id=33311567.
[289] 朱维良. DC260126, a small-molecular antagonist of GPR40, improves insulin tolerance but not glucose tolerance in obese Zucker rats. Biomedicine Pharmacotherapy. 2010, [290] Wang, Tao, Huang, XianGui, Liu, Jia, Li, Bo, Wu, JinJin, Chen, KaiXian, Zhu, WeiLiang, Xu, XiaoYong, Zeng, BuBing. An Efficient One-Pot Synthesis of Substituted 2-Aminothiophenes via Three-Component Gewald Reaction Catalyzed by L-Proline. SYNLETT[J]. 2010, 1351-1354, http://ir.simm.ac.cn/handle/153631/2052.
[291] 杜芸, 阳怀宇, 张健, 罗成, 朱维良, 蒋华良. ErbB4激活过程的分子动力学研究. 2010, 83-, https://kns.cnki.net/KCMS/detail/detail.aspx?dbcode=CPFD&dbname=CPFD0914&filename=ZGHY201006016079&v=MTQyODJITXFZOUVZdXNJQlJOS3VoZGhuajk4VG5qcXF4ZEVlTU9VS3JpZlplWnZIaW50VTdyTEtWNFJQeXJEZDdHNEg5.
[292] Chen, Lei, Feng, Yu, Zhou, Yinqiu, Zhu, Weiliang, Shen, Xu, Chen, Kaixian, Jiang, Hualiang, Liu, Dongxiang. Dual role of Zn2+ in maintaining structural integrity and suppressing deacetylase activity of SIRT1. JOURNAL OF INORGANIC BIOCHEMISTRY[J]. 2010, 104(2): 180-185, http://dx.doi.org/10.1016/j.jinorgbio.2009.10.021.
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[294] 徐志建, 刘正, 王震, 卢运祥, 沈敬山, 朱维良. 应用卤键对PDE5的抑制剂进行优化. 2010, 76-, https://kns.cnki.net/KCMS/detail/detail.aspx?dbcode=CPFD&dbname=CPFD0914&filename=ZGHY201006016072&v=MDM4ODJPVUtyaWZaZVp2SGludFU3ckxLVm9SUHlyRGQ3RzRIOUhNcVk5RVl1c0lEaE5LdWhkaG5qOThUbmpxcXhkRWVN.
[295] Qin, Guangrong, Yu, Kunqian, Shi, Ting, Luo, Cheng, Li, Guohui, Zhu, Weiliang, Jiang, Hualiang. How Does Influenza Virus A Escape from Amantadine?. JOURNAL OF PHYSICAL CHEMISTRY B[J]. 2010, 114(25): 8487-8493, http://159.226.238.44/handle/321008/141972.
[296] 朱维良. 虚拟筛选策略的再探索. 2010, 11-, https://kns.cnki.net/KCMS/detail/detail.aspx?dbcode=CPFD&dbname=CPFD0914&filename=ZGHY201006016007&v=MzA2MDE5SE1xWTlFWXVzUEN4Tkt1aGRobmo5OFRuanFxeGRFZU1PVUtyaWZaZVp2SGludFU3ckxLVnNSUHlyRGQ3RzRI.
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[298] 沈倩诚, 郑明月, 芦静, 朱维良, 陈凯先, 蒋华良, 罗小民. SOMEViz—预测小分子CYP450酶代谢位点的Web服务. 2010, http://kns.cnki.net/KCMS/detail/detail.aspx?QueryID=0&CurRec=3&recid=&FileName=ZGHY201006016073&DbName=CPFD0914&DbCode=CPFD&yx=&pr=&URLID=&bsm=.
[299] 梁中洁, 石婷, 朱维良, 罗成, 蒋华良. 沉默调控因子SIR2酶催化反应机制的理论研究. 2010, 84-, https://kns.cnki.net/KCMS/detail/detail.aspx?dbcode=CPFD&dbname=CPFD0914&filename=ZGHY201006016080&v=MDM4ODJPVUtyaWZaZVp2SGludFU3ckxKbDRjUHlyRGQ3RzRIOUhNcVk5RVl1c0hEQk5LdWhkaG5qOThUbmpxcXhkRWVN.
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[302] Li, Ning, Thompson, Scott, Schultz, David C, Zhu, Weiliang, Jiang, Hualiang, Luo, Cheng, Lieberman, Paul M. Discovery of Selective Inhibitors Against EBNA1 via High Throughput In Silico Virtual Screening. PLOS ONE[J]. 2010, 5(4): https://doaj.org/article/5f2cb7035d4342c2aaf8f1fdc7dda8fa.
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[341] Li, Weihua, Tang, Yun, Liu, Hong, Cheng, Jiagao, Zhu, Weiliang, Jiang, Hualiang. Probing ligand binding modes of human cytochrome P450 2J2 by homology modeling, molecular dynamics simulation, and flexible molecular docking. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS[J]. 2008, 71(2): 938-949, http://ir.simm.ac.cn/handle/153631/1391.
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[343] 叶德举, 罗小民, 沈建华, 朱维良, 沈旭, 蒋华良, 柳红. 先导化合物的发现——整合计算机虚拟筛选、化学合成和生物测试方法. 化学进展[J]. 2007, 19(12): 1939-1946, http://lib.cqvip.com/Qikan/Article/Detail?id=26119099.
[344] Yang, Huaiyu, Xu, Yechun, Zhu, Weiliang, Chen, Kaixian, Jiang, Hualiang. Detailed mechanism for AmtB conducting NH4+/NH3: Molecular dynamics simulations. BIOPHYSICAL JOURNAL[J]. 2007, 92(3): 877-885, http://ir.simm.ac.cn/handle/153631/1849.
[345] Liu, Hong, Gao, ZhaoBing, Yao, Zhiyi, Zheng, Suxin, Li, Yang, Zhu, Weiliang, Tan, Xiaojian, Luo, Xiaomin, Shen, Jianhua, Chen, Kaixian, Hu, GuoYuan, Jiang, Hualiang. Discovering potassium channel blockers from synthetic compound database by using structure-based virtual screening in conjunction with electrophysiological assay. JOURNAL OF MEDICINAL CHEMISTRY[J]. 2007, 50(1): 83-93, http://ir.simm.ac.cn/handle/153631/1871.
[346] Ye Deju, Luo Xiaomin, Shen Jianhua, Zhu Weiliang, Shen Xu, Jiang Hualiang, Liu Hong. Discovering potential drug leads via docking, synthesis and bioassay. PROGRESS IN CHEMISTRY[J]. 2007, 19(12): 1939-1946, http://ir.simm.ac.cn/handle/153631/1657.
[347] Xu, Yechun, Zhu, Weiliang, Liu, Dongxiang, Liu, Hong, Shen, Xu, Ma, Jianpeng, Jiang, Hualiang. PHYS 45-Drug discovery based on large scale molecular dynamics Simulation for membrane proteins. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETYnull. 2007, 234: https://www.webofscience.com/wos/woscc/full-record/WOS:000207593907188.
[348] Gui, Chunshan, Zhu, Weiliang, Chen, Gang, Luo, Xiaomin, Liew, Oi W, Puah, Chum M, Chen, Kaixian, Jiang, Hualiang. Understanding the regulation mechanisms of PAF receptor by agonists and antagonists: Molecular modeling and molecular dynamics simulation studies. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS[J]. 2007, 67(1): 41-52, http://ir.simm.ac.cn/handle/153631/1819.
[349] Zou, Hanjun, Luo, Cheng, Zheng, Suxin, Luo, Xiaomin, Zhu, Weiliang, Chen, Kaixian, Shen, Jianhua, Jiang, Hualiang. Molecular insight into the interaction between IFABP and PA by using MM-PBSA and alanine scanning methods. JOURNAL OF PHYSICAL CHEMISTRY B[J]. 2007, 111(30): 9104-9113, http://ir.simm.ac.cn/handle/153631/1714.
[350] 贾琦, 李剑, 陈莉莉, 刘晓峰, 谭红胜, 朱维良. 感冒229E病毒3CL蛋白酶抑制剂金丝桃苷衍生物的合成及其构效关系研究. 中国药物化学杂志[J]. 2007, 17(5): 288-, http://lib.cqvip.com/Qikan/Article/Detail?id=25731765.
[351] Shen, Juwen, Zhang, Jian, Luo, Xiaomin, Zhu, Weiliang, Yu, Kunqian, Chen, Kaixian, Li, Yixue, Jiang, Hualiang. Predictina protein-protein interactions based only on sequences information. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA[J]. 2007, 104(11): 4337-4341, http://ir.simm.ac.cn/handle/153631/1822.
[352] Xu, Yechun, Barrantes, Francisco J, Shen, Jianhua, Luo, Xiaomin, Zhu, Weiliang, Chen, Kaixian, Jiang, Hualiang. Blocking of the nicotinic acetylcholine receptor ion channel by chlorpromazine, a noncompetitive inhibitor: A molecular dynamics simulation study. JOURNAL OF PHYSICAL CHEMISTRY B[J]. 2006, 110(41): 20640-20648, http://ir.simm.ac.cn/handle/153631/1454.
[353] Duan, Hongxia, Gong, Zhen, Cheng, Jiagao, Zhu, Weiliang, Chen, Kaixian, Jiang, Hualiang. Induction of an aromatic six-membered nitrogen ring via cation-pi interaction. JOURNAL OF PHYSICAL CHEMISTRY A[J]. 2006, 110(44): 12236-12240, http://ir.simm.ac.cn/handle/153631/1439.
[354] Zheng, Mingyue, Liu, Zhiguo, Xue, Chunxia, Zhu, Weiliang, Chen, Kaixian, Luo, Xiaomin, Jiang, Hualiang. Mutagenic probability estimation of chemical compounds by a novel molecular electrophilicity vector and support vector machine. BIOINFORMATICS[J]. 2006, 22(17): 2099-2106, http://dx.doi.org/10.1093/bioinformatics/btl352.
[355] Zheng, Mingyue, Yu, Kunqian, Liu, Hong, Luo, Xiaomin, Chen, Kaixian, Zhu, Weiliang, Jiang, Hualiang. QSAR analyses on avian influenza virus neuraminidase inhibitors using CoMFA, CoMSIA, and HQSAR. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN[J]. 2006, 20(9): 549-566, http://ir.simm.ac.cn/handle/153631/1487.
[356] 龚珍, 贺凌燕, 柳红, 刘景根, 朱维良, 陈凯先, 蒋华良. 一个潜在的糖尿病新靶标gpr40. 生命科学[J]. 2006, 18(5): 467-, [357] Zhang, Zhenshan, Zheng, Mingyue, Du, Li, Shen, Jianhua, Luo, Xiaomin, Zhu, Weiliang, Jiang, Hualiang. Towards discovering dual functional inhibitors against both wild type and K103N mutant HIV-1 reverse transcriptases: molecular docking and QSAR studies on 4,1-benzoxazepinone analogues. JOURNALOFCOMPUTERAIDEDMOLECULARDESIGN[J]. 2006, 20(5): 281-293, http://ir.simm.ac.cn/handle/153631/1551.
[358] Lili Chen, Jian Li, Cheng Luo, Hong Liu, Weijun Xu, Gang Chen, Oi Wah Liew, Weiliang Zhu, Chum Mok Puah, Xu Shen, Hualiang Jiang. Binding interaction of quercetin-3-β-galactoside and its synthetic derivatives with SARS-CoV 3CL pro: Structure–activity relationship studies reveal salient pharmacophore features. BIOORGANICMEDICINALCHEMISTRY. 2006, 14(24): 8295-8306, http://dx.doi.org/10.1016/j.bmc.2006.09.014.
[359] 李洪林, 沈建华, 罗小民, 沈旭, 朱维良, 王希诚, 陈凯先, 蒋华良. 虚拟筛选与新药发现. 生命科学[J]. 2005, 17(2): 125-, http://lib.cqvip.com/Qikan/Article/Detail?id=15553218.
[360] 朱维良, 龚珍, 蒋华良, 陈凯先. 基于基因功能的创新药物研究. 生命科学[J]. 2005, 17(4): 288-293, http://lib.cqvip.com/Qikan/Article/Detail?id=20032012.
[361] 洒荣建, 朱维良, 于昆千, 程加高, 许叶春, 沈建华, 沈旭, 蒋华良. 水溶液中H3O+-苯相互作用的Car-Parrinello动力学模拟. 2005, 458-, https://kns.cnki.net/KCMS/detail/detail.aspx?dbcode=CPFD&dbname=CPFD9908&filename=ZGHY200510007420&v=MTY4OTlEZDdHNEh0VE5yNDlGWSs4TkRCTkt1aGRobmo5OFRuanFxeGRFZU1PVUtyaWZaZVp2SGlqbVVMN0xKbDhTUHly.
[362] 龚珍, 朱维良, 沈旭, 罗小明, 沈建华, 陈凯先, 蒋华良. 钙和1,3,5,7-环辛四烯的电子转移反应研究. 2005, 416-, https://kns.cnki.net/KCMS/detail/detail.aspx?dbcode=CPFD&dbname=CPFD9908&filename=ZGHY200510007378&v=MTgwOTRpZlplWnZIaWptVUw3TEoxd1FQeXJEZDdHNEh0VE5yNDlGWStnSUJCTkt1aGRobmo5OFRuanFxeGRFZU1PVUty.
[363] 贵春山, 沈建华, 罗小民, 朱维良, 沈旭, 蒋华良. 雌激素受体和选择性雌激素受体调节剂的研究进展. 中国药物化学杂志[J]. 2005, 15(5): 313-, http://lib.cqvip.com/Qikan/Article/Detail?id=20386827.
[364] 谭小健, 蒋华良, 朱维良, 崔勐, 林茂伟, 陈凯先, 嵇汝运. 阳离子-体系相互作用的理论研究. 化学世界[J]. 2000, http://lib.cqvip.com/Qikan/Article/Detail?id=1000726372.
[365] 谭小健, 蒋华良, 朱维良, 陈凯先, 嵇汝运, 蒋山好, 朱大元, 王海顷. 8α—OH马尾杉碱B的结构鉴定:——NMR谱分析及密度泛函理论研究. 化学学报[J]. 2000, 58(11): 1386-, http://lib.cqvip.com/Qikan/Article/Detail?id=4770734.
[366] 朱维良, 曹阳. 阳离子—π体系相互作用的理论研究:Ⅱ.铵离子—二苯复合物体系的密度 …. 化学学报[J]. 1999, 57(8): 852-859, http://lib.cqvip.com/Qikan/Article/Detail?id=3660891.
[367] 朱维良, 蒋华良, 陈凯先, 嵇汝运, 曹阳. 生物大分子体系量子化学计算方法新进展. 化学进展[J]. 1999, 11(4): 3-5, http://lib.cqvip.com/Qikan/Article/Detail?id=3826132.
[368] 陈建忠, 蒋华良, 朱维良, 翟宇峰, 嵇汝运, 陈凯先, 顾健德. 生物体系中电子转移机理的理论研究:Ⅲ.含金属螺环化合物的分子内电子转移. 中国科学. B辑, 化学[J]. 1999, 29(3): 201-, [369] 蒋华良, 朱维良, 嵇汝运, 沈敬山, 赵磊, 刘东祥, 陈凯先. Molecular modeling on kappa opioid receptor and its interaction with. 中国药理学报[J]. 1999, 20(2): 131-, [370] 嵇汝运, 陈建忠, 谭小健, 蒋华良, 刘冬祥, 朱维良, 翟宇峰, 陈凯先. 阳离子-π体系相互作用的理论研究Ⅲ.碱金属阳离子-苯复合物体系的量子化学研究. 化学学报[J]. 1999, 57(8): 860-, [371] 蒋华良, 朱维良. 阳离子—π体系相互作用的理论研究:Ⅲ.碱金属阳离子—苯复合物体系 …. 化学学报[J]. 1999, 57(8): 860-868, http://lib.cqvip.com/Qikan/Article/Detail?id=3660892.
[372] 翟宇峰, 蒋华良, 朱维良, 顾健德, 陈建忠, 陈凯先, 嵇汝运. 生物体系中电子转移机理的理论研究——Ⅲ含金属螺环化合物的分子内电子转移. 中国科学(B辑). 1999, 3-5, https://kns.cnki.net/KCMS/detail/detail.aspx?dbcode=CJFQ&dbname=CJFD9899&filename=JBXK199903001&v=MDU0MDBMeS9UWmJLeEY5ak1ySTlGWllSOGVYMUx1eFlTN0RoMVQzcVRyV00xRnJDVVI3cWZiK1ptRkNubVVydk8=.
[373] 陈凯先, 蒋华良, 陈建忠, 顾健德, 嵇汝运, 翟宇峰, 曹阳, 谭小健, 朱维良, 林茂伟. 阳离子-π体系相互作用的理论研究Ⅱ.铵离子-二苯复合物体系的密度泛函研究. 化学学报[J]. 1999, 57(8): 952-, [374] 翟宇峰, 蒋华良, 陈建忠, 顾建德, 朱维良, 嵇汝运, 朱维良, 陈凯先. 生物体系中电子转移机理的研究.II.分子间电子转移及电子供、受体间不同基团的影响. 化学学报[J]. 1998, 56(11): 1087-, [375] 翟宇峰, 蒋华良, 朱维良, 顾健德, 陈建忠, 陈凯先, 嵇汝运. 生物体系中电子转移机理的研究——Ⅱ.分子间电子转移及电子供、受体间不同基团的影响. 化学学报. 1998, 3-5, https://kns.cnki.net/KCMS/detail/detail.aspx?dbcode=CJFQ&dbname=CJFD9899&filename=HXXB199811007&v=MjIzNzhySUxUWFRiTEt4RjluTnJvOUZZNFI4ZVgxTHV4WVM3RGgxVDNxVHJXTTFGckNVUjdxZmIrWm1GQ2prVjc=.
[376] 陈凯先, 嵇汝运, 朱维良, 胡增建, 蒋华良, 陈建忠, 顾健德. 基于酶三维结构的乙酰胆碱酯酶抑制剂石杉碱甲及类似物研究. 自然科学进展[J]. 1998, 8(6): 683-, [377] 朱维良, 曹阳. 抗早老性痴呆症天然产物石杉碱甲的红外光谱与简正分析:量 …. 中国科学:B辑[J]. 1998, 28(4): 326-331, http://lib.cqvip.com/Qikan/Article/Detail?id=3136236.
[378] 蒋华良, 朱维良, 谭小健, 顾健德, 陈建忠, 林茂伟, 陈凯先, 嵇汝运. 阳离子-π体系相互作用的理论研究——Ⅰ.铵离子-苯复合物构型及相互作用的密度泛函研究. 中国科学(B辑). 1998, 3-5, https://kns.cnki.net/KCMS/detail/detail.aspx?dbcode=CJFQ&dbname=CJFD9899&filename=JBXK199805003&v=MDAzMjdTN0RoMVQzcVRyV00xRnJDVVI3cWZiK1ptRkNqa1ZiN09MeS9UWmJLeEY5bk1xbzlGWjRSOGVYMUx1eFk=.
[379] 蒋华良, 胡增建, 陈建忠, 顾健德, 朱维良, 陈凯先, 嵇汝运. 配体-受体相互作用的计算机模拟及其在药物设计中的应用. 化学进展[J]. 1998, 10(4): 3-5, http://lib.cqvip.com/Qikan/Article/Detail?id=3350746.
[380] 蒋华良, 嵇汝运, 曹阳, 陈凯先, 刘东祥, 林茂伟, 陈建忠, 朱维良, 顾健德. 石杉碱甲—AChE复合物中石杉碱甲的结构特征—量子化学研究. 化学学报[J]. 1998, 56(3): 233-, http://lib.cqvip.com/Qikan/Article/Detail?id=2933818.
[381] 蒋华良, 陈凯先, 陈建忠, 顾健德, 胡增建, 朱维良, 嵇汝运. 一种分子溶液构象搜寻方法. 科学通报[J]. 1998, 43(1): 3-5, http://lib.cqvip.com/Qikan/Article/Detail?id=3022275.
[382] 朱维良, 顾健德, 蒋华良, 陈建忠, 刘东祥, 林茂伟, 陈凯先, 嵇汝运, 曹阳. 抗早老性痴呆症天然产物石杉碱甲的红外光谱与简正分析——量子化学密度函数理论(DFT)研究. 中国科学(B辑). 1998, 3-5, https://kns.cnki.net/KCMS/detail/detail.aspx?dbcode=CJFQ&dbname=CJFD9899&filename=JBXK199804005&v=MTg0NjFyQ1VSN3FmYitabUZDam1WcnpNTHkvVFpiS3hGOW5NcTQ5RllZUjhlWDFMdXhZUzdEaDFUM3FUcldNMUY=.
[383] 陈建忠, 陈凯先, 蒋华良, 顾健德, 朱维良, 胡增建, 嵇汝运. 银杏内酯及其类似物溶剂化的量子化学研究. 中国科学(B辑). 1998, 3-5, https://kns.cnki.net/KCMS/detail/detail.aspx?dbcode=CJFQ&dbname=CJFD9899&filename=JBXK199804004&v=MDE3MDNMdXhZUzdEaDFUM3FUcldNMUZyQ1VSN3FmYitabUZDam1VYnJCTHkvVFpiS3hGOW5NcTQ5RllJUjhlWDE=.
[384] 蒋华良, 嵇汝运, 陈建忠, 朱维良, 胡增建, 顾健德, 陈凯先. 银杏内酯及其类似物溶剂化的量子化学研究. 中国科学:B辑[J]. 1998, 28(4): 316-, http://lib.cqvip.com/Qikan/Article/Detail?id=3136235.
[385] 翟宇峰, 顾健德, 蒋华良, 陈建忠, 朱维良, 陈凯先, 嵇汝运. 生物体系中电子转移机理的理论研究——Ⅰ.一种计算电子转移的方法及在螺环化合物中的应用. 化学学报. 1998, 3-5, https://kns.cnki.net/KCMS/detail/detail.aspx?dbcode=CJFQ&dbname=CJFD9899&filename=HXXB199811006&v=MDA3NjNVUjdxZmIrWm1GQ2prVjc3S0xUWFRiTEt4RjluTnJvOUZZb1I4ZVgxTHV4WVM3RGgxVDNxVHJXTTFGckM=.
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[387] 朱维良, 曹阳. 石杉碱甲类化合物定量构效关系的量子化学研究. 中国药物化学杂志[J]. 1997, 7(4): 258-263, http://lib.cqvip.com/Qikan/Article/Detail?id=2753296.
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[389] 朱维良, 杨龙寿, 张锦云, 李少杰, 丁霞. 木素磺酸铁(II)合物的合成条件及动力学. 江苏农学院学报[J]. 1996, 17(2): 59-, http://sciencechina.cn/gw.jsp?action=detail.jsp&internal_id=313738&detailType=1.
[390] 张锦云, 丁霞, 杨龙寿, 李少杰, 朱维良. 木质素磺酸钠的溶解性与pH值的关系. 江苏农学院学报[J]. 1996, 17(3): 87-, http://lib.cqvip.com/Qikan/Article/Detail?id=2100275.
[391] 朱新开, 杨龙寿, 朱维良, 张锦云, 李稳林, 王甫同, 严六零. 保水种衣对小麦幼苗生长及产量的影响. 江苏农学院学报[J]. 1996, 17(4): 44,60-, http://lib.cqvip.com/Qikan/Article/Detail?id=2251935.
发表著作
( 1 ) 基于候选化合物和靶标结构的组合集中库设计:药物发现方法及应用, Focused Library Design Based on Hit and Target Structures: Method and Application in Drug Discovery, John Wiley Sons, 1900-01, 第 1 作者
( 2 ) 高等药物化学, Advanced Medicinal Chemistry, 化学工业出版社, 2011-05, 第 5 作者
( 3 ) 实用药物化学, The Practice of Medicinal Chemistry (3rd Edition), 科学出版社, 2012-06, 第 2 作者
( 4 ) 新药研发案例研究, Case Study on Drug Discovery and Development, 化学工业出版社, 2014-03, 第 5 作者

科研活动

   
科研项目
( 1 ) 化学创新药物研发体系建设-数据集成管理技术平台, 主持, 国家级, 2009-01--2011-12
( 2 ) 药物作用新靶标、新机制和新分子实体发现方法与应用, 参与, 国家级, 2008-01--2013-12
( 3 ) Molecular recognition of ABC family transporters a, 主持, 研究所(学校), 2010-08--2012-07
( 4 ) 中国热带病创新药物及诊断试剂国际合作研究, 参与, 国家级, 2011-01--2013-12
( 5 ) 抗糖尿病及肿瘤先导化合物研究, 主持, 研究所(学校), 2011-03--2014-03
( 6 ) 靶标蛋白可药性构象的预测方法发展及其在药物设计中的应用, 主持, 国家级, 2016-01--2019-12
( 7 ) 卤键打分函数及其在药物设计中的应用研究, 主持, 国家级, 2013-01--2016-12
( 8 ) 新药研发与蛋白质折叠数值模拟软件系统及应用, 主持, 国家级, 2012-01--2015-12
( 9 ) 计算生物学方法发展研究, 主持, 研究所(学校), 2013-03--2018-02
( 10 ) 多发性骨髓瘤潜在新靶标TRIP13抑制剂的结构优化研究, 主持, 部委级, 2016-01--2017-12
( 11 ) 中国被忽视热带病防治关键技术国际合作研究, 参与, 国家级, 2014-04--2017-04
( 12 ) 基于B-Raf激酶V600E突变体的抗肿瘤候选药物研究, 主持, 国家级, 2012-01--2015-12
参与会议
(1)Computational Study and Application of Halogen Bonding between Drug and Target Protein   朱维良   2016-06-07
(2)基于超级计算的抗病毒药物的快速发现与优化   香山会议   2016-05-22
(3)The halogen bonding interaction between drug and target protein and its scoring function   第十届世界华人药物化学研讨会   2016-01-19
(4)胍基-精氨酸作用及其在药物设计中的潜在应用   第十三届全国计算(机)化学学术会议   2015-12-20
(5)The Application of Computational Chemistry in New Drug Research   国际计算科学与工程第19届年会   2015-06-18
(6)Unusual Interactions between drug receptor and ligands   2015年皇后镇分子生物学(上海)会议   2015-03-19
(7)Simulating large scale conformation change for understanding protein function    2015年皇后镇分子生物学(上海)会议   2014-03-13
(8)The Cooperation Mechanism of Aromatic Sandwich for Basal Activity in Beta3 Adrenergic Receptor by MD Simulation and Bioassay   朱维良   2010-12-17
(9)Discovering and optimizing drug leads based on MD simulation and virtual screening   朱维良   2009-03-22
(10)Discovering New Drug Leads based on Functional Conformation from Molecular Dynamics Simulations   朱维良   2008-11-13
(11)Discovering small organic compounds as drug leads against Dengue virus   朱维良   2008-11-03
(12)Exploring Functional Conformations of Target Protein for Drug Discovery by Molecular Dynamics Simulations   朱维良   2008-10-16
(13)Molecular Dynamics Simulations in Drug Discovery Design   朱维良   2008-06-29
(14)Cation–π Interaction: Intermolecular Interaction or Chemical Bonding   朱维良   2007-09-23
(15)Cation–π Interaction: Intermolecular Interaction or Chemical Bonding   朱维良   2007-09-14
(16)Discovering New Drug Leads via Target-Focused Library Design   朱维良   2007-04-17
(17)Why does ?-secretase Zymogen Possess Catalytic Activity. Molecular Modeling and Molecular Dynamics Simulation Studies   朱维良   2007-04-16
(18)Discovering Drug Leads with High Drug-likeness by Virtual Screening and Combinatorial Chemistry   朱维良   2006-12-04
(19)PDF Enzyme is a Potential Target for Anti-Helicobacter pylori Drugs   朱维良   2006-11-05
(20)Additivity of Cation-π Interactions: ab initio Computational Studies on TMA–(Benzene)n (n=1-4) complexes   朱维良   2006-10-05
(21)Discovering Drug Leads against SARS through Virtual Screening and Bioassay   第七届中日药物设计与开发研讨会   朱维良   2006-09-05
(22)How Do Small Ligands Regulate PAFR (Platelet-Activating Factor Receptor) Modeling MD Simulations   朱维良   2006-08-05
(23)How do agonist and antagonist regulate the conformation of PAF receptor   朱维良   2006-07-06
(24)Discovering Antibacterial Compounds through MD Simulations and   朱维良   2006-05-06

指导学生

已指导学生

陈磊  01  49598  

冯钰  01  49598  

蔡海燕  01  49598  

李宁  01  49598  

朱雪莲  01  49598  

徐志建  01  49598  

王进安  01  49598  

杨卓  01  49598  

朱剑明  01  49598  

周云飞  01  68263  

现指导学生

陈照强  01  68263  

朱正诞  02  67876  

王桂敏  01  68263  

彭诚   02  67876  

刘鹏  01  68263