Zhang JZ - Search Results

1

Structure, mechanism, and enantioselectivity shifting of lipase LipK107 with a simple way.

Zhang L, Gao B, Yuan Z, He X, Yuan YA, Zhang JZ, Wei D. Zhang L, et al. Among authors: zhang jz. Biochim Biophys Acta. 2014 Jul;1844(7):1183-92. doi: 10.1016/j.bbapap.2014.02.021. Epub 2014 Mar 4. Biochim Biophys Acta. 2014. PMID: 24602769

2

A new method for direct calculation of total energy of protein.

He X, Zhang JZ. He X, et al. Among authors: zhang jz. J Chem Phys. 2005 Jan 15;122(3):31103. doi: 10.1063/1.1849132. J Chem Phys. 2005. PMID: 15740185

3

Quantum computational analysis for drug resistance of HIV-1 reverse transcriptase to nevirapine through point mutations.

He X, Mei Y, Xiang Y, Zhang DW, Zhang JZ. He X, et al. Among authors: zhang dw, zhang jz. Proteins. 2005 Nov 1;61(2):423-32. doi: 10.1002/prot.20578. Proteins. 2005. PMID: 16114038

4

The generalized molecular fractionation with conjugate caps/molecular mechanics method for direct calculation of protein energy.

He X, Zhang JZ. He X, et al. Among authors: zhang jz. J Chem Phys. 2006 May 14;124(18):184703. doi: 10.1063/1.2194535. J Chem Phys. 2006. PMID: 16709127

5

Fragment density functional theory calculation of NMR chemical shifts for proteins with implicit solvation.

Zhu T, He X, Zhang JZ. Zhu T, et al. Among authors: zhang jz. Phys Chem Chem Phys. 2012 Jun 7;14(21):7837-45. doi: 10.1039/c2cp23746f. Epub 2012 Feb 8. Phys Chem Chem Phys. 2012. PMID: 22314755

6

Electrostatically embedded generalized molecular fractionation with conjugate caps method for full quantum mechanical calculation of protein energy.

Wang X, Liu J, Zhang JZ, He X. Wang X, et al. Among authors: zhang jz. J Phys Chem A. 2013 Aug 15;117(32):7149-61. doi: 10.1021/jp400779t. Epub 2013 Mar 27. J Phys Chem A. 2013. PMID: 23452268

7

Predicting mutation-induced Stark shifts in the active site of a protein with a polarized force field.

Wang X, He X, Zhang JZ. Wang X, et al. Among authors: zhang jz. J Phys Chem A. 2013 Jul 25;117(29):6015-23. doi: 10.1021/jp312063h. Epub 2013 Apr 5. J Phys Chem A. 2013. PMID: 23517423

8

Improving the scoring of protein-ligand binding affinity by including the effects of structural water and electronic polarization.

Liu J, He X, Zhang JZ. Liu J, et al. Among authors: zhang jz. J Chem Inf Model. 2013 Jun 24;53(6):1306-14. doi: 10.1021/ci400067c. Epub 2013 May 20. J Chem Inf Model. 2013. PMID: 23651068

9

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. Among authors: zhang x, zhang jz. 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

10

An improved fragment-based quantum mechanical method for calculation of electrostatic solvation energy of proteins.

Jia X, Wang X, Liu J, Zhang JZ, Mei Y, He X. Jia X, et al. Among authors: zhang jz. J Chem Phys. 2013 Dec 7;139(21):214104. doi: 10.1063/1.4833678. J Chem Phys. 2013. PMID: 24320361

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