Hu G - Search Results

1

Ligand Selectivity Mechanism and Conformational Changes in Guanine Riboswitch by Molecular Dynamics Simulations and Free Energy Calculations.

Hu G, Ma A, Wang J. Hu G, et al. J Chem Inf Model. 2017 Apr 24;57(4):918-928. doi: 10.1021/acs.jcim.7b00139. Epub 2017 Apr 6. J Chem Inf Model. 2017. PMID: 28345904

2

Insights into the functional role of protonation states in the HIV-1 protease-BEA369 complex: molecular dynamics simulations and free energy calculations.

Chen J, Yang M, Hu G, Shi S, Yi C, Zhang Q. Chen J, et al. Among authors: hu g. J Mol Model. 2009 Oct;15(10):1245-52. doi: 10.1007/s00894-009-0452-y. Epub 2009 Mar 18. J Mol Model. 2009. PMID: 19294437

3

Insights into scFv:drug binding using the molecular dynamics simulation and free energy calculation.

Hu G, Zhang Q, Chen LY. Hu G, et al. J Mol Model. 2011 Aug;17(8):1919-26. doi: 10.1007/s00894-010-0892-4. Epub 2010 Nov 26. J Mol Model. 2011. PMID: 21110054 Free PMC article.

4

Insights into the mechanisms of the selectivity filter of Escherichia coli aquaporin Z.

Hu G, Chen LY, Wang J. Hu G, et al. J Mol Model. 2012 Aug;18(8):3731-41. doi: 10.1007/s00894-012-1379-2. Epub 2012 Mar 6. J Mol Model. 2012. PMID: 22392432 Free PMC article.

5

Deepening constantly understanding of protein folding problem.

Wang J, Yu J, Zhao L, Hu G, Cao Z. Wang J, et al. Among authors: hu g. J Biomol Struct Dyn. 2013;31(9):956-60. doi: 10.1080/07391102.2012.748527. Epub 2013 Feb 5. J Biomol Struct Dyn. 2013. PMID: 23384210 No abstract available.

6

Ligand selectivity of estrogen receptors by a molecular dynamics study.

Hu G, Wang J. Hu G, et al. Eur J Med Chem. 2014 Mar 3;74:726-35. doi: 10.1016/j.ejmech.2013.04.049. Epub 2013 May 3. Eur J Med Chem. 2014. PMID: 23694906

7

Insight into conformational change for 14-3-3σ protein by molecular dynamics simulation.

Hu G, Li H, Liu JY, Wang J. Hu G, et al. Int J Mol Sci. 2014 Feb 18;15(2):2794-810. doi: 10.3390/ijms15022794. Int J Mol Sci. 2014. PMID: 24552877 Free PMC article.

8

A study of the interaction between HIV-1 protease and C 2-symmetric inhibitors by computational methods.

Shi S, Hu G, Zhang X, Wang J. Shi S, et al. Among authors: hu g. J Mol Model. 2014 Aug;20(8):2369. doi: 10.1007/s00894-014-2369-3. Epub 2014 Jul 15. J Mol Model. 2014. PMID: 25024011

9

Conformational stability of PCID2 upon DSS1 binding with molecular dynamics simulation.

Liu Q, Hu G, Cao Z, Wang J, Chen H. Liu Q, et al. Among authors: hu g. J Mol Model. 2015 May;21(5):127. doi: 10.1007/s00894-015-2664-7. Epub 2015 Apr 26. J Mol Model. 2015. PMID: 25914122

10

Characterizing the Free-Energy Landscape of MDM2 Protein-Ligand Interactions by Steered Molecular Dynamics Simulations.

Hu G, Xu S, Wang J. Hu G, et al. Chem Biol Drug Des. 2015 Dec;86(6):1351-9. doi: 10.1111/cbdd.12598. Epub 2015 Jun 15. Chem Biol Drug Des. 2015. PMID: 26032728

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