Zhao X - Search Results

1

Unraveling the allosteric mechanisms of prolyl endopeptidases for celiac disease therapy: Insights from molecular dynamics simulations.

Wang Y, Xing S, Zhao X, Chen X, Zhan CG. Wang Y, et al. Among authors: zhao x. Int J Biol Macromol. 2024 Feb;259(Pt 2):129313. doi: 10.1016/j.ijbiomac.2024.129313. Epub 2024 Jan 10. Int J Biol Macromol. 2024. PMID: 38216012

2

Novel human mPGES-1 inhibitors identified through structure-based virtual screening.

Hamza A, Zhao X, Tong M, Tai HH, Zhan CG. Hamza A, et al. Among authors: zhao x. Bioorg Med Chem. 2011 Oct 15;19(20):6077-86. doi: 10.1016/j.bmc.2011.08.040. Epub 2011 Aug 25. Bioorg Med Chem. 2011. PMID: 21920764 Free PMC article.

3

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

Huang X, Zhao X, Zheng F, Zhan CG. Huang X, et al. Among authors: zhao x. J Phys Chem B. 2012 Mar 15;116(10):3361-8. doi: 10.1021/jp2111605. Epub 2012 Mar 2. J Phys Chem B. 2012. PMID: 22385120 Free PMC article.

4

Correlations between the ¹H NMR chemical shieldings and the pK_a values of organic acids and amines.

Lu J, Lu T, Zhao X, Chen X, Zhan CG. Lu J, et al. Among authors: zhao x. J Mol Model. 2018 Jun 1;24(7):146. doi: 10.1007/s00894-018-3690-z. J Mol Model. 2018. PMID: 29858663

5

Correlation between the pK_a and nuclear shielding of α-hydrogen of ketones.

Xing S, Lu J, Zhao X, Chen X, Zhan CG. Xing S, et al. Among authors: zhao x. J Mol Model. 2019 Nov 25;25(12):354. doi: 10.1007/s00894-019-4244-8. J Mol Model. 2019. PMID: 31768645

6

Reaction mechanism for cocaine esterase-catalyzed hydrolyses of (+)- and (-)-cocaine: unexpected common rate-determining step.

Liu J, Zhao X, Yang W, Zhan CG. Liu J, et al. Among authors: zhao x. J Phys Chem B. 2011 May 5;115(17):5017-25. doi: 10.1021/jp200975v. Epub 2011 Apr 12. J Phys Chem B. 2011. PMID: 21486046 Free PMC article.

7

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. 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.

8

Fundamental reaction pathway and free energy profile for hydrolysis of intracellular second messenger adenosine 3',5'-cyclic monophosphate (cAMP) catalyzed by phosphodiesterase-4.

Chen X, Zhao X, Xiong Y, Liu J, Zhan CG. Chen X, et al. Among authors: zhao x. J Phys Chem B. 2011 Oct 27;115(42):12208-19. doi: 10.1021/jp205509w. Epub 2011 Oct 5. J Phys Chem B. 2011. PMID: 21973014 Free PMC article.

9

A Practical System for High-Throughput Screening of Mutants of Bacillus fastidiosus Uricase.

Feng T, Yang X, Wang D, Hu X, Liao J, Pu J, Zhao X, Zhan CG, Liao F. Feng T, et al. Among authors: zhao x. Appl Biochem Biotechnol. 2017 Feb;181(2):667-681. doi: 10.1007/s12010-016-2240-3. Epub 2016 Sep 10. Appl Biochem Biotechnol. 2017. PMID: 27614625

10

Multiple halide anion doped layered bismuth terephthalate with excellent photocatalysis for pollutant removal.

Zhao X, Chen H, Chen X, Hu J, Wu T, Wu L, Li M. Zhao X, et al. RSC Adv. 2018 Nov 14;8(67):38370-38375. doi: 10.1039/c8ra08493a. eCollection 2018 Nov 14. RSC Adv. 2018. PMID: 35559113 Free PMC article.

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