Pan Y - Search Results

1

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. Among authors: pan y. 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.

2

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.

3

Free energy perturbation (FEP) simulation on the transition states of cocaine hydrolysis catalyzed by human butyrylcholinesterase and its mutants.

Pan Y, Gao D, Yang W, Cho H, Zhan CG. Pan Y, et al. J Am Chem Soc. 2007 Nov 7;129(44):13537-43. doi: 10.1021/ja073724k. Epub 2007 Oct 10. J Am Chem Soc. 2007. PMID: 17927177 Free PMC article.

4

Modeling the catalysis of anti-cocaine catalytic antibody: competing reaction pathways and free energy barriers.

Pan Y, Gao D, Zhan CG. Pan Y, et al. J Am Chem Soc. 2008 Apr 16;130(15):5140-9. doi: 10.1021/ja077972s. Epub 2008 Mar 15. J Am Chem Soc. 2008. PMID: 18341277 Free PMC article.

5

Reaction pathway and free energy profile for prechemical reaction step of human butyrylcholinesterase-catalyzed hydrolysis of (-)-cocaine by combined targeted molecular dynamics and potential of mean force simulations.

Huang X, Pan Y, Zheng F, Zhan CG. Huang X, et al. Among authors: pan y. J Phys Chem B. 2010 Oct 28;114(42):13545-54. doi: 10.1021/jp106539w. J Phys Chem B. 2010. PMID: 20883001 Free PMC article.

6

Free-energy perturbation simulation on transition states and redesign of butyrylcholinesterase.

Yang W, Pan Y, Zheng F, Cho H, Tai HH, Zhan CG. Yang W, et al. Among authors: pan y. Biophys J. 2009 Mar 4;96(5):1931-8. doi: 10.1016/j.bpj.2008.11.051. Biophys J. 2009. PMID: 19254552 Free PMC article.

7

Model of human butyrylcholinesterase tetramer by homology modeling and dynamics simulation.

Pan Y, Muzyka JL, Zhan CG. Pan Y, et al. J Phys Chem B. 2009 May 7;113(18):6543-52. doi: 10.1021/jp8114995. J Phys Chem B. 2009. PMID: 19402731 Free PMC article.

8

Free energy perturbation simulation on transition states and high-activity mutants of human butyrylcholinesterase for (-)-cocaine hydrolysis.

Yang W, Pan Y, Fang L, Gao D, Zheng F, Zhan CG. Yang W, et al. Among authors: pan y. J Phys Chem B. 2010 Aug 26;114(33):10889-96. doi: 10.1021/jp104989b. J Phys Chem B. 2010. PMID: 20677742 Free PMC article.

9

Active site gating and substrate specificity of butyrylcholinesterase and acetylcholinesterase: insights from molecular dynamics simulations.

Fang L, Pan Y, Muzyka JL, Zhan CG. Fang L, et al. Among authors: pan y. J Phys Chem B. 2011 Jul 14;115(27):8797-805. doi: 10.1021/jp112030p. Epub 2011 Jun 17. J Phys Chem B. 2011. PMID: 21682268 Free PMC article.

10

Risk factors for increased drain output after endoscopic thyroidectomy via areola approach: a retrospective cohort study.

Zhang Y, Hu Y, Huang B, Dong Z, Pan Y, Chong TH, Huang K, Li J, Wang C. Zhang Y, et al. Among authors: pan y. Gland Surg. 2024 Dec 31;13(12):2264-2273. doi: 10.21037/gs-24-360. Epub 2024 Dec 27. Gland Surg. 2024. PMID: 39822366 Free PMC article.

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