Lu H - Search Results

1

First-principles calculation of pKa for cocaine, nicotine, neurotransmitters, and anilines in aqueous solution.

Lu H, Chen X, Zhan CG. Lu H, et al. J Phys Chem B. 2007 Sep 6;111(35):10599-605. doi: 10.1021/jp072917r. Epub 2007 Aug 11. J Phys Chem B. 2007. PMID: 17691837 Free PMC article.

2

Characterization of the structures of phosphodiesterase 10 binding with adenosine 3',5'-monophosphate and guanosine 3',5'-monophosphate by hybrid quantum mechanical/molecular mechanical calculations.

Lu H, Goren AC, Zhan CG. Lu H, et al. J Phys Chem B. 2010 May 27;114(20):7022-8. doi: 10.1021/jp911527y. J Phys Chem B. 2010. PMID: 20443609 Free PMC article.

3

Dynamic structures of phosphodiesterase-5 active site by combined molecular dynamics simulations and hybrid quantum mechanical/molecular mechanical calculations.

Xiong Y, Lu HT, Zhan CG. Xiong Y, et al. J Comput Chem. 2008 Jun;29(8):1259-67. doi: 10.1002/jcc.20888. J Comput Chem. 2008. PMID: 18161687

4

Binding free energies for nicotine analogs inhibiting cytochrome P450 2A6 by a combined use of molecular dynamics simulations and QM/MM-PBSA calculations.

Lu H, Huang X, AbdulHameed MD, Zhan CG. Lu H, et al. Bioorg Med Chem. 2014 Apr 1;22(7):2149-56. doi: 10.1016/j.bmc.2014.02.037. Epub 2014 Mar 3. Bioorg Med Chem. 2014. PMID: 24631364 Free PMC article.

5

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

6

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. Biophys J. 2006 Sep 1;91(5):1858-67. doi: 10.1529/biophysj.106.086835. Biophys J. 2006. PMID: 16912214 Free PMC article.

7

Phosphonate-Stabilized Titanium-Oxo Clusters with Ferrocene Photosensitizer: Structures, Photophysical and Photoelectrochemical Properties, and DFT/TDDFT Calculations.

Fan Y, Li HM, Duan RH, Lu HT, Cao JT, Zou GD, Jing QS. Fan Y, et al. Inorg Chem. 2017 Nov 6;56(21):12775-12782. doi: 10.1021/acs.inorgchem.7b01527. Inorg Chem. 2017. PMID: 29027802

8

Nonenzymatic hydrogen peroxide electrochemical sensor based on carbon-coated SnO2 supported Pt nanoparticles.

Lu H, Yu S, Fan Y, Yang C, Xu D. Lu H, et al. Colloids Surf B Biointerfaces. 2013 Jan 1;101:106-10. doi: 10.1016/j.colsurfb.2012.05.033. Epub 2012 Jun 9. Colloids Surf B Biointerfaces. 2013. PMID: 22796779

9

Hydrothermal preparation and electrochemical sensing properties of TiO(2)-graphene nanocomposite.

Fan Y, Lu HT, Liu JH, Yang CP, Jing QS, Zhang YX, Yang XK, Huang KJ. Fan Y, et al. Colloids Surf B Biointerfaces. 2011 Mar;83(1):78-82. doi: 10.1016/j.colsurfb.2010.10.048. Epub 2010 Nov 5. Colloids Surf B Biointerfaces. 2011. PMID: 21111581

10

Electrochemical behavior and voltammetric determination of paracetamol on Nafion/TiO2-graphene modified glassy carbon electrode.

Fan Y, Liu JH, Lu HT, Zhang Q. Fan Y, et al. Colloids Surf B Biointerfaces. 2011 Jul 1;85(2):289-92. doi: 10.1016/j.colsurfb.2011.02.041. Epub 2011 Mar 8. Colloids Surf B Biointerfaces. 2011. PMID: 21435844

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