Hu H - Search Results

1

Autocatalytic intramolecular isopeptide bond formation in gram-positive bacterial pili: a QM/MM simulation.

Hu X, Hu H, Melvin JA, Clancy KW, McCafferty DG, Yang W. Hu X, et al. Among authors: hu h. J Am Chem Soc. 2011 Jan 26;133(3):478-85. doi: 10.1021/ja107513t. Epub 2010 Dec 13. J Am Chem Soc. 2011. PMID: 21142157 Free PMC article.

2

Dual-topology/dual-coordinate free-energy simulation using QM/MM force field.

Hu H, Yang W. Hu H, et al. J Chem Phys. 2005 Jul 22;123(4):041102. doi: 10.1063/1.1990113. J Chem Phys. 2005. PMID: 16095339

3

Simulating force-induced conformational transitions in polysaccharides with the SMD replica exchange method.

Lu Z, Hu H, Yang W, Marszalek PE. Lu Z, et al. Among authors: hu h. Biophys J. 2006 Sep 15;91(6):L57-9. doi: 10.1529/biophysj.106.090324. Epub 2006 Jul 7. Biophys J. 2006. PMID: 16829559 Free PMC article.

4

Direct detection of the formation of V-amylose helix by single molecule force spectroscopy.

Zhang Q, Lu Z, Hu H, Yang W, Marszalek PE. Zhang Q, et al. Among authors: hu h. J Am Chem Soc. 2006 Jul 26;128(29):9387-93. doi: 10.1021/ja057693+. J Am Chem Soc. 2006. PMID: 16848474 Free PMC article.

5

Simulating water with the self-consistent-charge density functional tight binding method: from molecular clusters to the liquid state.

Hu H, Lu Z, Elstner M, Hermans J, Yang W. Hu H, et al. J Phys Chem A. 2007 Jul 5;111(26):5685-91. doi: 10.1021/jp070308d. Epub 2007 May 3. J Phys Chem A. 2007. PMID: 17474727 Free PMC article.

6

Quantum mechanics/molecular mechanics minimum free-energy path for accurate reaction energetics in solution and enzymes: sequential sampling and optimization on the potential of mean force surface.

Hu H, Lu Z, Parks JM, Burger SK, Yang W. Hu H, et al. J Chem Phys. 2008 Jan 21;128(3):034105. doi: 10.1063/1.2816557. J Chem Phys. 2008. PMID: 18205486 Free article.

7

Hepatitis C virus NS5B polymerase: QM/MM calculations show the important role of the internal energy in ligand binding.

Parks JM, Kondru RK, Hu H, Beratan DN, Yang W. Parks JM, et al. Among authors: hu h. J Phys Chem B. 2008 Mar 13;112(10):3168-76. doi: 10.1021/jp076885j. Epub 2008 Feb 14. J Phys Chem B. 2008. PMID: 18271573

8

Ab initio quantum mechanical/molecular mechanical simulation of electron transfer process: fractional electron approach.

Zeng X, Hu H, Hu X, Cohen AJ, Yang W. Zeng X, et al. Among authors: hu h, hu x. J Chem Phys. 2008 Mar 28;128(12):124510. doi: 10.1063/1.2832946. J Chem Phys. 2008. PMID: 18376946 Free PMC article.

9

Free energies of chemical reactions in solution and in enzymes with ab initio quantum mechanics/molecular mechanics methods.

Hu H, Yang W. Hu H, et al. Annu Rev Phys Chem. 2008;59:573-601. doi: 10.1146/annurev.physchem.59.032607.093618. Annu Rev Phys Chem. 2008. PMID: 18393679 Free PMC article. Review.

10

Mechanism of OMP decarboxylation in orotidine 5'-monophosphate decarboxylase.

Hu H, Boone A, Yang W. Hu H, et al. J Am Chem Soc. 2008 Nov 5;130(44):14493-503. doi: 10.1021/ja801202j. Epub 2008 Oct 8. J Am Chem Soc. 2008. PMID: 18839943 Free PMC article.

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