Zhan CG - Search Results

1

Binding model construction of antifungal 2-aryl-4-chromanones using CoMFA, CoMSIA, and QSAR analyses.

Wei DG, Yang GF, Wan J, Zhan CG. Wei DG, et al. Among authors: zhan cg. J Agric Food Chem. 2005 Mar 9;53(5):1604-11. doi: 10.1021/jf048313r. J Agric Food Chem. 2005. PMID: 15740047

2

Understanding the structure-activity and structure-selectivity correlation of cyclic guanine derivatives as phosphodiesterase-5 inhibitors by molecular docking, CoMFA and CoMSIA analyses.

Yang GF, Lu HT, Xiong Y, Zhan CG. Yang GF, et al. Among authors: zhan cg. Bioorg Med Chem. 2006 Mar 1;14(5):1462-73. doi: 10.1016/j.bmc.2005.09.073. Epub 2005 Nov 2. Bioorg Med Chem. 2006. PMID: 16263288

3

Bioactive permethrin/beta-cyclodextrin inclusion complex.

Yang GF, Wang HB, Yang WC, Gao D, Zhan CG. Yang GF, et al. Among authors: zhan cg. J Phys Chem B. 2006 Apr 6;110(13):7044-8. doi: 10.1021/jp056809l. J Phys Chem B. 2006. PMID: 16571020

4

Understanding the mechanism of drug resistance due to a codon deletion in protoporphyrinogen oxidase through computational modeling.

Hao GF, Zhu XL, Ji FQ, Zhang L, Yang GF, Zhan CG. Hao GF, et al. Among authors: zhan cg. J Phys Chem B. 2009 Apr 9;113(14):4865-75. doi: 10.1021/jp807442n. J Phys Chem B. 2009. PMID: 19284797

5

Computational determination of fundamental pathway and activation barriers for acetohydroxyacid synthase-catalyzed condensation reactions of alpha-keto acids.

Xiong Y, Liu J, Yang GF, Zhan CG. Xiong Y, et al. Among authors: zhan cg. J Comput Chem. 2010 Jun;31(8):1592-602. doi: 10.1002/jcc.21356. J Comput Chem. 2010. PMID: 19554557

6

Structural assignment of 6-oxy purine derivatives through computational modeling, synthesis, X-ray diffraction, and spectroscopic analysis.

Zhao X, Chen X, Yang GF, Zhan CG. Zhao X, et al. Among authors: zhan cg. J Phys Chem B. 2010 May 27;114(20):6968-72. doi: 10.1021/jp100039p. J Phys Chem B. 2010. PMID: 20433186 Free PMC article.

7

Computational mutation scanning and drug resistance mechanisms of HIV-1 protease inhibitors.

Hao GF, Yang GF, Zhan CG. Hao GF, et al. Among authors: zhan cg. J Phys Chem B. 2010 Jul 29;114(29):9663-76. doi: 10.1021/jp102546s. J Phys Chem B. 2010. PMID: 20604558 Free PMC article.

8

Computational gibberellin-binding channel discovery unraveling the unexpected perception mechanism of hormone signal by gibberellin receptor.

Hao GF, Yang SG, Yang GF, Zhan CG. Hao GF, et al. Among authors: zhan cg. J Comput Chem. 2013 Sep 15;34(24):2055-64. doi: 10.1002/jcc.23355. Epub 2013 Jun 14. J Comput Chem. 2013. PMID: 23765254

9

Quantitative structure-activity relationship for cyclic imide derivatives of protoporphyrinogen oxidase inhibitors: a study of quantum chemical descriptors from density functional theory.

Wan J, Zhang L, Yang G, Zhan CG. Wan J, et al. Among authors: zhan cg. J Chem Inf Comput Sci. 2004 Nov-Dec;44(6):2099-105. doi: 10.1021/ci049793p. J Chem Inf Comput Sci. 2004. PMID: 15554680

10

Characterization of a catalytic ligand bridging metal ions in phosphodiesterases 4 and 5 by molecular dynamics simulations and hybrid quantum mechanical/molecular mechanical calculations.

Xiong Y, Lu HT, Li Y, Yang GF, Zhan CG. Xiong Y, et al. Among authors: zhan cg. Biophys J. 2006 Sep 1;91(5):1858-67. doi: 10.1529/biophysj.106.086835. Biophys J. 2006. PMID: 16912214 Free PMC article.

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