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分子模拟应用于岩藻糖化糖胺聚糖 3D 结构确定及其与内源 性因子 X 酶的相互作用模式考察 学位论文
, 2021
Authors:  陈鼎元
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Discovery of novel inhibitors against main protease (Mpro) of SARS-CoV-2 via virtual screening and biochemical evaluation 期刊论文
BIOORGANIC CHEMISTRY, 2021, 卷号: 110, 页码: 104767
Authors:  Guo,Sheng;  Xie,Hang;  Lei,Yu;  Liu,Bin;  Zhang,Li;  Xu,Yechun;  Zuo,Zhili
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SARS-CoV-2  Main protease  Virtual screening  Biochemical evaluation  
Discovery of novel modulators targeting human TRPC5: Docking-based virtual screening, molecular dynamics simulation and binding af fi nity predication 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2021, 卷号: 102, 页码: 107795
Authors:  Liu,Bin;  Zhang,Wei;  Guo,Sheng;  Zuo,Zhili
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hTRPC5  Homology modeling  Molecular docking  Molecular dynamics simulation  Virtual screening  INHIBITOR  CHANNELS  GROMACS  POTENT  AMBER  IDENTIFICATION  CONSTRAINTS  INTEGRATION  AMYGDALA  
基于质谱分子网络结合 UPLC-DAD/MS-SPE及NMR去重复技术的八棱脆海棠果化学成分研究 学位论文
, 2020
Authors:  陈鹏瑀
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Computational simulation studies on the binding selectivity of Wee1 and Checkpoint kinase 1 by molecular dynamics simulation combined with free energy calculations 期刊论文
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2020
Authors:  Li, Yaping;  Liu, Xingyong;  Zhang, Shuqun;  Wang, Liangliang;  Zhang, Li;  Zuo, Zhili
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Biogeography and ecological niche evolution in Diapensiaceae inferred from phylogenetic analysis 期刊论文
JOURNAL OF SYSTEMATICS AND EVOLUTION, 2020
Authors:  Gaynor, Michelle L.;  Fu, Chao-Nan;  Gao, Lian-Ming;  Lu, Li-Min;  Soltis, Douglas E.;  Soltis, Pamela S.
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AS160保护胰岛的功能研究及葡萄糖转运体筛选模型的建立 学位论文
博士: 中国科学院昆明植物研究所, 2019
Authors:  逯艳婷
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糖尿病  AS160  胰岛β细胞  葡萄糖转运体  药物筛选  
玉米抵御粘虫取食的时空响应分析 学位论文
博士: 中国科学院昆明植物研究所, 2019
Authors:  SAIF UL MALOOK
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系统反应  玉米防御启动  粘虫  转录组  DNA甲基化。  
腺苷酸环化酶亚型选择性小分子激动剂的筛选模型建立及应用 学位论文
硕士: 中国科学院昆明植物研究所, 2019
Authors:  徐国伟
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腺苷酸环化酶2  腺苷酸环化酶8  选择性激动剂  虚拟筛选  分子对接和动力学模拟  
Discovery of novel indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors by virtual screening 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 78, 页码: 306-316
Authors:  Zhou, Yeheng;  Peng, Jiale;  Li, Penghua;  Du, Haibo;  Li, Yaping;  Li, Yingying;  Zhang, Li;  Sun, Wei;  Liu, Xingyong;  Zuo, Zhili
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IDO1  Molecular docking  HipHop pharmacophore  3D-QSAR  PAINS