Yang GF - Search Results

1

Computational design and discovery of conformationally flexible inhibitors of acetohydroxyacid synthase to overcome drug resistance associated with the W586L mutation.

Ji FQ, Niu CW, Chen CN, Chen Q, Yang GF, Xi Z, Zhan CG. Ji FQ, et al. Among authors: yang gf. ChemMedChem. 2008 Aug;3(8):1203-6. doi: 10.1002/cmdc.200800103. ChemMedChem. 2008. PMID: 18478622 No abstract available.

2

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. J Chem Inf Comput Sci. 2004 Nov-Dec;44(6):2099-105. doi: 10.1021/ci049793p. J Chem Inf Comput Sci. 2004. PMID: 15554680

3

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: yang gf. J Agric Food Chem. 2005 Mar 9;53(5):1604-11. doi: 10.1021/jf048313r. J Agric Food Chem. 2005. PMID: 15740047

4

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. 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

5

Computational redesign of human butyrylcholinesterase for anticocaine medication.

Pan Y, Gao D, Yang W, Cho H, Yang G, Tai HH, Zhan CG. Pan Y, et al. Proc Natl Acad Sci U S A. 2005 Nov 15;102(46):16656-61. doi: 10.1073/pnas.0507332102. Epub 2005 Nov 7. Proc Natl Acad Sci U S A. 2005. PMID: 16275916 Free PMC article.

6

Computational design of a human butyrylcholinesterase mutant for accelerating cocaine hydrolysis based on the transition-state simulation.

Gao D, Cho H, Yang W, Pan Y, Yang G, Tai HH, Zhan CG. Gao D, et al. Angew Chem Int Ed Engl. 2006 Jan 16;45(4):653-7. doi: 10.1002/anie.200503025. Angew Chem Int Ed Engl. 2006. PMID: 16355430 Free PMC article. No abstract available.

7

Bioactive permethrin/beta-cyclodextrin inclusion complex.

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

8

Interactions of aryloxyphenoxypropionic acids with sensitive and resistant acetyl-coenzyme a carboxylase by homology modeling and molecular dynamic simulations.

Zhu XL, Zhang L, Chen Q, Wan J, Yang GF. Zhu XL, et al. Among authors: yang gf. J Chem Inf Model. 2006 Jul-Aug;46(4):1819-26. doi: 10.1021/ci0600307. J Chem Inf Model. 2006. PMID: 16859313

9

Development of a general quantum-chemical descriptor for steric effects: density functional theory based QSAR study of herbicidal sulfonylurea analogues.

Xi Z, Yu Z, Niu C, Ban S, Yang G. Xi Z, et al. J Comput Chem. 2006 Oct;27(13):1571-6. doi: 10.1002/jcc.20464. J Comput Chem. 2006. PMID: 16868987

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: yang gf. 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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