Zheng F - Search Results

1

Free energy profiles of cocaine esterase-cocaine binding process by molecular dynamics and potential of mean force simulations.

Zhang Y, Huang X, Han K, Zheng F, Zhan CG. Zhang Y, et al. Among authors: zheng f. Chem Biol Interact. 2016 Nov 25;259(Pt B):142-147. doi: 10.1016/j.cbi.2016.05.011. Epub 2016 May 6. Chem Biol Interact. 2016. PMID: 27163853 Free PMC article.

2

First computational evidence for a catalytic bridging hydroxide ion in a phosphodiesterase active site.

Zhan CG, Zheng F. Zhan CG, et al. Among authors: zheng f. J Am Chem Soc. 2001 Mar 28;123(12):2835-8. doi: 10.1021/ja005529a. J Am Chem Soc. 2001. PMID: 11456970

3

Electron affinities of Al(n) clusters and multiple-fold aromaticity of the square Al4(2-) structure.

Zhan CG, Zheng F, Dixon DA. Zhan CG, et al. Among authors: zheng f. J Am Chem Soc. 2002 Dec 11;124(49):14795-803. doi: 10.1021/ja021026o. J Am Chem Soc. 2002. PMID: 12465993

4

Fundamental reaction mechanism for cocaine hydrolysis in human butyrylcholinesterase.

Zhan CG, Zheng F, Landry DW. Zhan CG, et al. Among authors: zheng f. J Am Chem Soc. 2003 Mar 5;125(9):2462-74. doi: 10.1021/ja020850+. J Am Chem Soc. 2003. PMID: 12603134 Free PMC article.

5

Modeling multiple species of nicotine and deschloroepibatidine interacting with alpha4beta2 nicotinic acetylcholine receptor: from microscopic binding to phenomenological binding affinity.

Huang X, Zheng F, Crooks PA, Dwoskin LP, Zhan CG. Huang X, et al. Among authors: zheng f. J Am Chem Soc. 2005 Oct 19;127(41):14401-14. doi: 10.1021/ja052681+. J Am Chem Soc. 2005. PMID: 16218635 Free PMC article.

6

QSAR modeling of mono- and bis-quaternary ammonium salts that act as antagonists at neuronal nicotinic acetylcholine receptors mediating dopamine release.

Zheng F, Bayram E, Sumithran SP, Ayers JT, Zhan CG, Schmitt JD, Dwoskin LP, Crooks PA. Zheng F, et al. Bioorg Med Chem. 2006 May 1;14(9):3017-37. doi: 10.1016/j.bmc.2005.12.036. Epub 2006 Jan 20. Bioorg Med Chem. 2006. PMID: 16431111

7

Modeling subtype-selective agonists binding with alpha4beta2 and alpha7 nicotinic acetylcholine receptors: effects of local binding and long-range electrostatic interactions.

Huang X, Zheng F, Chen X, Crooks PA, Dwoskin LP, Zhan CG. Huang X, et al. Among authors: zheng f. J Med Chem. 2006 Dec 28;49(26):7661-74. doi: 10.1021/jm0606701. J Med Chem. 2006. PMID: 17181149

8

Computational neural network analysis of the affinity of lobeline and tetrabenazine analogs for the vesicular monoamine transporter-2.

Zheng F, Zheng G, Deaciuc AG, Zhan CG, Dwoskin LP, Crooks PA. Zheng F, et al. Among authors: zheng g. Bioorg Med Chem. 2007 Apr 15;15(8):2975-92. doi: 10.1016/j.bmc.2007.02.013. Epub 2007 Feb 11. Bioorg Med Chem. 2007. PMID: 17331733 Free PMC article.

9

Rational design of an enzyme mutant for anti-cocaine therapeutics.

Zheng F, Zhan CG. Zheng F, et al. J Comput Aided Mol Des. 2008 Sep;22(9):661-71. doi: 10.1007/s10822-007-9144-9. Epub 2007 Nov 8. J Comput Aided Mol Des. 2008. PMID: 17989928 Free PMC article. Review.

10

Structure-and-mechanism-based design and discovery of therapeutics for cocaine overdose and addiction.

Zheng F, Zhan CG. Zheng F, et al. Org Biomol Chem. 2008 Mar 7;6(5):836-43. doi: 10.1039/b716268e. Epub 2007 Dec 5. Org Biomol Chem. 2008. PMID: 18292872 Free PMC article. Review.

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