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兰州大学机构库
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Molecular Mechanism of the Inhibition and Remodeling of Human Islet Amyloid Polypeptide (hIAPP(1-37)) Oligomer by Resveratrol from Molecular Dynamics Simulation 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2015, 卷号: 119, 期号: 1, 页码: 15-24
Authors:  Wang, QQ;  Ning, LL;  Niu, YZ;  Liu, HX(刘焕香);  Yao, XJ(姚小军);  Liu, HX (reprint author), Lanzhou Univ, Sch Pharm, Lanzhou 730000, Peoples R China.
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A resumable two-photon fluorescent chemodosimeter for Hg2+ in aqueous solution 期刊论文
SENSORS AND ACTUATORS B-CHEMICAL, 2014, 卷号: 204, 页码: 68-73
Authors:  Jiang, H;  Luo, WF;  Jiang, J;  Jin, XJ;  Dou, W(窦伟);  Tang, XL(唐晓亮);  Yang, LZ(杨莉梓);  Chen, CY;  Ju, ZH;  Yao, XJ(姚小军)...Jiang, H;  Luo, WF;  Jiang, J;  Jin, XJ;  Dou, W(窦伟);  Tang, XL(唐晓亮);  Yang, LZ(杨莉梓);  Chen, CY;  Ju, ZH;  Yao, XJ(姚小军);  Liu, WS(刘伟生);  Liu, WS (reprint author), Lanzhou Univ, Key Lab Nonferrous Met Chem & Resources Utilizat, Coll Chem & Chem Engn, Lanzhou 730000, Peoples R China.
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Fluorescent Chemodosimeter  He2+ ions  Resumable  Two-photon  Aqueous solution  Low detection limit  
Search for beta(2) Adrenergic Receptor Ligands by Virtual Screening via Grid Computing and Investigation of Binding Modes by Docking and Molecular Dynamics Simulations 期刊论文
PLoS One, 2014, 卷号: 9, 期号: 9, 页码: -
Authors:  Bai, QF;  Shao, YH;  Pan, DB;  Zhang, Y;  Liu, HX;  Yao, XJ(姚小军);  Yao, XJ (reprint author), Lanzhou Univ, Dept Chem, Lanzhou 730000, Peoples R China.
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A coumarin-derived fluorescent chemosensor for selectively detecting Cu2+ : Synthesis, DFT calculations and cell imaging applications 期刊论文
TALANTA, 2014, 卷号: 124, 页码: 139-145
Authors:  Chen, FJ(陈凤娟);  Liu, GZ;  Shi, YJ;  Xi, PX(席聘贤);  Cheng, J;  Hong, JP;  Shen, R;  Yao, XJ(姚小军);  Bai, DC(白德成);  Ceng, ZZ(曾正志)...Chen, FJ(陈凤娟);  Liu, GZ;  Shi, YJ;  Xi, PX(席聘贤);  Cheng, J;  Hong, JP;  Shen, R;  Yao, XJ(姚小军);  Bai, DC(白德成);  Ceng, ZZ(曾正志);  Zeng, ZZ (reprint author), Lanzhou Univ, State Key Lab Appl Organ Chem, Key Lab Nonferrous Met Chem & Resources Utilizat, Lanzhou 730000, Peoples R China.
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Chemosensor  Fluorescence  Live cell  Imaging  DFT  Cu2+  
Integrated QSPR models to predict the soil sorption coefficient for a large diverse set of compounds by using different modeling methods 期刊论文
ATMOSPHERIC ENVIRONMENT, 2014, 卷号: 88
Authors:  Shao, YH;  Liu, JN;  Wang, MX;  Shi, LL;  Yao, XJ(姚小军);  Gramatica, P;  Yao, XJ (reprint author), Lanzhou Univ, Dept Chem, Lanzhou 730000, Peoples R China.
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Soil sorption coefficient  OECD principles  QSPR  Genetic algorithms  LS-SVM  Local lazy regression  
Molecular Modeling Study on the Allosteric Inhibition Mechanism of HIV-1 Integrase by LEDGF/p75 Binding Site Inhibitors 期刊论文
PLoS One, 2014, 卷号: 9, 期号: 3
Authors:  Xue, WW;  Liu, HX;  Yao, XJ(姚小军);  Yao, XJ (reprint author), Lanzhou Univ, Dept Chem, State Key Lab Appl Organ Chem, Lanzhou 730000, Peoples R China.
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A novel HBT-based Schiff base for colorimetric detection of aluminum: Synthesis, characterization, spectral and DFT computational studies 期刊论文
SENSORS AND ACTUATORS B-CHEMICAL, 2014, 卷号: 192, 页码: 386-392
Authors:  Liu, SD;  Zhang, LW;  Zan, WY;  Yao, XJ(姚小军);  Yang, Y(杨瑛);  Liu, X(刘相);  Yang, Y (reprint author), Lanzhou Univ, Coll Chem & Chem Engn, Key Lab Nonferrous Met Chem & Resources Utilizat, Lanzhou 730000, Peoples R China.
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Schiff base  Aluminum  HBT  Fluorescence probe  
Computational Study on the Inhibitor Binding Mode and Allosteric Regulation Mechanism in Hepatitis C Virus NS3/4A Protein 期刊论文
PLoS One, 2014, 卷号: 9, 期号: 2
Authors:  Xue, WW;  Yang, Y(杨瑛);  Wang, XT;  Liu, HX;  Yao, XJ(姚小军);  Yao, XJ (reprint author), Lanzhou Univ, Dept Chem, State Key Lab Appl Organ Chem, Lanzhou 730000, Peoples R China.
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Computational Study on the Drug Resistance Mechanism against HCV NS3/4A Protease Inhibitors Vaniprevir and MK-5172 by the Combination Use of Molecular Dynamics Simulation, Residue Interaction Network, and Substrate Envelope Analysis 期刊论文
Journal of Chemical Information and Modeling, 2014, 卷号: 54, 期号: 2
Authors:  Xue, WW;  Ban, YH;  Liu, HX;  Yao, XJ(姚小军);  Yao, XJ (reprint author), Lanzhou Univ, Dept Chem, State Key Lab Appl Organ Chem, Lanzhou 730000, Peoples R China.
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The role of Cys179-Cys214 disulfide bond in the stability and folding of prion protein: insights from molecular dynamics simulations 期刊论文
JOURNAL OF MOLECULAR MODELING, 2014, 卷号: 20, 期号: 2
Authors:  Ning, LL;  Guo, JJ;  Jin, NZ;  Liu, HX;  Yao, XJ(姚小军);  Liu, HX (reprint author), Lanzhou Univ, State Key Lab Appl Organ Chem, Lanzhou 730000, Peoples R China.
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Molecular dynamics simulation  Prion diseases  Disulfide bond  Misfolding