Zeng J - Search Results

1

A numerically stable restrained electrostatic potential charge fitting method.

Zeng J, Duan L, Zhang JZ, Mei Y. Zeng J, et al. J Comput Chem. 2013 Apr 5;34(10):847-53. doi: 10.1002/jcc.23208. Epub 2012 Dec 28. J Comput Chem. 2013. PMID: 23281029

2

Electrostatic polarization is critical for the strong binding in streptavidin-biotin system.

Mei Y, Li YL, Zeng J, Zhang JZ. Mei Y, et al. Among authors: zeng j. J Comput Chem. 2012 Jun 5;33(15):1374-82. doi: 10.1002/jcc.22970. Epub 2012 Mar 30. J Comput Chem. 2012. PMID: 22467070

3

Discovery and characterization of novel, potent, and selective cytochrome P450 2J2 inhibitors.

Ren S, Zeng J, Mei Y, Zhang JZ, Yan SF, Fei J, Chen L. Ren S, et al. Among authors: zeng j. Drug Metab Dispos. 2013 Jan;41(1):60-71. doi: 10.1124/dmd.112.048264. Epub 2012 Oct 2. Drug Metab Dispos. 2013. PMID: 23033255

4

The F130L mutation in streptavidin reduces its binding affinity to biotin through electronic polarization effect.

Zeng J, Jia X, Zhang JZ, Mei Y. Zeng J, et al. J Comput Chem. 2013 Dec 5;34(31):2677-86. doi: 10.1002/jcc.23421. Epub 2013 Sep 2. J Comput Chem. 2013. PMID: 24000160

5

The intrinsic helical propensities of the helical fragments in prion protein under neutral and low pH conditions: a replica exchange molecular dynamics study.

Lu X, Zeng J, Gao Y, Zhang JZ, Zhang D, Mei Y. Lu X, et al. Among authors: zeng j. J Mol Model. 2013 Nov;19(11):4897-908. doi: 10.1007/s00894-013-1985-7. Epub 2013 Sep 17. J Mol Model. 2013. PMID: 24043543

6

Accessing the applicability of polarized protein-specific charge in linear interaction energy analysis.

Jia X, Zeng J, Zhang JZ, Mei Y. Jia X, et al. Among authors: zeng j. J Comput Chem. 2014 Apr 5;35(9):737-47. doi: 10.1002/jcc.23547. Epub 2014 Feb 5. J Comput Chem. 2014. PMID: 24500844

7

Examination of the quality of various force fields and solvation models for the equilibrium simulations of GA88 and GB88.

Zeng J, Li Y, Zhang JZ, Mei Y. Zeng J, et al. J Mol Model. 2016 Aug;22(8):177. doi: 10.1007/s00894-016-3027-8. Epub 2016 Jul 8. J Mol Model. 2016. PMID: 27392746

8

Insights into ligand selectivity in estrogen receptor isoforms: molecular dynamics simulations and binding free energy calculations.

Zeng J, Li W, Zhao Y, Liu G, Tang Y, Jiang H. Zeng J, et al. J Phys Chem B. 2008 Mar 6;112(9):2719-26. doi: 10.1021/jp710029r. Epub 2008 Feb 12. J Phys Chem B. 2008. PMID: 18266357

9

Conformations and binding pockets of HRas and its guanine nucleotide exchange factors complexes in the guanosine triphosphate exchange process.

Xiong Y, Zeng J, Xia F, Cui Q, Deng X, Xu X. Xiong Y, et al. Among authors: zeng j. J Comput Chem. 2022 May 15;43(13):906-916. doi: 10.1002/jcc.26846. Epub 2022 Mar 24. J Comput Chem. 2022. PMID: 35324017 Free PMC article.

10

Insights into the interactions between HIV-1 integrase and human LEDGF/p75 by molecular dynamics simulation and free energy calculation.

Zhao Y, Li W, Zeng J, Liu G, Tang Y. Zhao Y, et al. Among authors: zeng j. Proteins. 2008 Aug;72(2):635-45. doi: 10.1002/prot.21955. Proteins. 2008. PMID: 18247352

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