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Insights into conformational regulation of PfMATE transporter from Pyrococcus furiosus induced by alternating protonation state of Asp41 residue: A molecular dynamics simulation study [期刊论文]
BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS, 2016, 卷号: 1860, 期号: 6, 页码: 1173-1180
Jin, XJ;  Shao, YH;  Bai, QF;  Xue, WW;  Liu, HX;  Yao, XJ(姚小军)
Application of a C-C Bond-Forming Conjugate Addition Reaction in Asymmetric Dearomatization of beta-Naphthols [期刊论文]
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2015, 卷号: 54, 期号: 33, 页码: 9523-9527
Yang, DX;  Wang, LQ;  Kai, M;  Li, D;  Yao, XJ(姚小军);  Wang, R(王锐)
Total synthesis of (-)-isatisine A via a biomimetic benzilic acid rearrangement [期刊论文]
TETRAHEDRON, 2015, 卷号: 71, 期号: 22, 页码: 3705-3714
Xiao, MX;  Wu, W;  Wei, L;  Jin, XJ;  Yao, XJ(姚小军);  Xie, ZX
Silver(I)-Catalyzed Ring-Contractive Rearrangement: A New Entry to 5-Alkylidene-2-cyclopentenones [期刊论文]
ORGANIC LETTERS, 2014, 卷号: 16, 期号: 24, 页码: 6378-6381
Zhao, L;  Wang, JL;  Zheng, HY;  Li, Y(李云);  Yang, K;  Cheng, B;  Jin, XJ;  Yao, XJ(姚小军);  Zhai, HB(翟宏斌)
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: -
Bai, QF;  Shao, YH;  Pan, DB;  Zhang, Y;  Liu, HX;  Yao, XJ(姚小军)
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Molecular modeling study on the dynamical structural features of human smoothened receptor and binding mechanism of antagonist LY2940680 by metadynamics simulation and free energy calculation [期刊论文]
BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS, 2014, 卷号: 1840, 期号: 7, 页码: 2128-2138
Bai, QF;  Shen, YL;  Jin, NZ;  Liu, HX(刘焕香);  Yao, XJ(姚小军)
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Computational study on the interaction between CCR5 and HIV-1 entry inhibitor maraviroc: insight from accelerated molecular dynamics simulation and free energy calculation [期刊论文]
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2014, 卷号: 16, 期号: 44, 页码: 24332-24338
Bai, QF;  Zhang, Y;  Li, XM;  Chen, WB;  Liu, HX(刘焕香);  Yao, XJ(姚小军)
Ligand induced change of beta(2) adrenergic receptor from active to inactive conformation and its implication for the closed/open state of the water channel: insight from molecular dynamics simulation, free energy calculation and Markov state model analysis [期刊论文]
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2014, 卷号: 16, 期号: 30, 页码: 15874-15885
Bai, QF;  Perez-Sanchez, H;  Zhang, Y;  Shao, YH;  Shi, DF;  Liu, HX(刘焕香);  Yao, XJ(姚小军)
  |  View/Download:177/1
Exploration of the antagonist CP-376395 escape pathway for the corticotropin-releasing factor receptor 1 by random acceleration molecular dynamics simulations [期刊论文]
MOLECULAR BIOSYSTEMS, 2014, 卷号: 10, 期号: 7, 页码: 1958-1967
Bai, QF;  Shi, DF;  Zhang, Y;  Liu, HX(刘焕香);  Yao, XJ(姚小军)
  |  View/Download:362/2



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