Zhang JZH - Search Results

1

The impact of interior dielectric constant and entropic change on HIV-1 complex binding free energy prediction.

Li Y, Cong Y, Feng G, Zhong S, Zhang JZH, Sun H, Duan L. Li Y, et al. Among authors: zhang jzh. Struct Dyn. 2018 Dec 14;5(6):064101. doi: 10.1063/1.5058172. eCollection 2018 Nov. Struct Dyn. 2018. PMID: 30868080 Free PMC article.

2

Folding dynamics of a small protein at room temperature via simulated coherent two-dimensional infrared spectroscopy.

Xiang Y, Duan L, Zhang JZ. Xiang Y, et al. Phys Chem Chem Phys. 2010 Dec 28;12(48):15681-8. doi: 10.1039/c0cp00375a. Epub 2010 Aug 2. Phys Chem Chem Phys. 2010. PMID: 20676442

3

Protein's electronic polarization contributes significantly to its catalytic function.

Xiang Y, Duan L, Zhang JZ. Xiang Y, et al. J Chem Phys. 2011 May 28;134(20):205101. doi: 10.1063/1.3592987. J Chem Phys. 2011. PMID: 21639481

4

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

5

A coupled two-dimensional main chain torsional potential for protein dynamics: generation and implementation.

Li Y, Gao Y, Zhang X, Wang X, Mou L, Duan L, He X, Mei Y, Zhang JZ. Li Y, et al. J Mol Model. 2013 Sep;19(9):3647-57. doi: 10.1007/s00894-013-1879-8. Epub 2013 Jun 14. J Mol Model. 2013. PMID: 23765039

6

Interaction Entropy: A New Paradigm for Highly Efficient and Reliable Computation of Protein-Ligand Binding Free Energy.

Duan L, Liu X, Zhang JZ. Duan L, et al. J Am Chem Soc. 2016 May 4;138(17):5722-8. doi: 10.1021/jacs.6b02682. Epub 2016 Apr 20. J Am Chem Soc. 2016. PMID: 27058988

7

Direct folding simulation of helical proteins using an effective polarizable bond force field.

Duan L, Zhu T, Ji C, Zhang Q, Zhang JZH. Duan L, et al. Among authors: zhang jzh, zhang q. Phys Chem Chem Phys. 2017 Jun 14;19(23):15273-15284. doi: 10.1039/c7cp02101a. Phys Chem Chem Phys. 2017. PMID: 28569909

8

Computational Study of PCSK9-EGFA Complex with Effective Polarizable Bond Force Field.

Chen J, Duan L, Ji C, Zhang JZH. Chen J, et al. Among authors: zhang jzh. Front Mol Biosci. 2018 Jan 15;4:101. doi: 10.3389/fmolb.2017.00101. eCollection 2017. Front Mol Biosci. 2018. PMID: 29379787 Free PMC article.

9

Assessing the performance of MM/PBSA and MM/GBSA methods. 7. Entropy effects on the performance of end-point binding free energy calculation approaches.

Sun H , Duan L , Chen F , Liu H , Wang Z , Pan P , Zhu F , Zhang JZH , Hou T . Sun H , et al. Among authors: zhang jzh. Phys Chem Chem Phys. 2018 May 30;20(21):14450-14460. doi: 10.1039/c7cp07623a. Phys Chem Chem Phys. 2018. PMID: 29785435

10

Exploring the Reasons for Decrease in Binding Affinity of HIV-2 Against HIV-1 Protease Complex Using Interaction Entropy Under Polarized Force Field.

Cong Y, Li Y, Jin K, Zhong S, Zhang JZH, Li H, Duan L. Cong Y, et al. Among authors: zhang jzh. Front Chem. 2018 Aug 24;6:380. doi: 10.3389/fchem.2018.00380. eCollection 2018. Front Chem. 2018. PMID: 30197882 Free PMC article.

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