Wang J - Search Results

1

Investigation of family 18 chitinases and inhibitors by computer-aided approaches.

Chu H, Wang J, Shen H, Yang Y, Zhu W, Li G. Chu H, et al. Among authors: wang j. Curr Drug Targets. 2012 Apr;13(4):502-11. doi: 10.2174/138945012799499695. Curr Drug Targets. 2012. PMID: 22280347 Review.

2

Insight into mechanism of small molecule inhibitors of the MDM2-p53 interaction: molecular dynamics simulation and free energy analysis.

Chen J, Wang J, Xu B, Zhu W, Li G. Chen J, et al. Among authors: wang j. J Mol Graph Model. 2011 Sep;30:46-53. doi: 10.1016/j.jmgm.2011.06.003. Epub 2011 Jun 13. J Mol Graph Model. 2011. PMID: 21764342

3

Identification of novel potential β-N-acetyl-D-hexosaminidase inhibitors by virtual screening, molecular dynamics simulation and MM-PBSA calculations.

Liu J, Liu M, Yao Y, Wang J, Li Y, Li G, Wang Y. Liu J, et al. Among authors: wang j, wang y. Int J Mol Sci. 2012;13(4):4545-4563. doi: 10.3390/ijms13044545. Epub 2012 Apr 10. Int J Mol Sci. 2012. PMID: 22605995 Free PMC article.

4

Binding modes of three inhibitors 8CA, F8A and I4A to A-FABP studied based on molecular dynamics simulation.

Chen J, Wang J, Zhu W. Chen J, et al. Among authors: wang j. PLoS One. 2014 Jun 11;9(6):e99862. doi: 10.1371/journal.pone.0099862. eCollection 2014. PLoS One. 2014. PMID: 24918907 Free PMC article.

5

Molecular Mechanism of Binding Selectivity of Inhibitors toward BACE1 and BACE2 Revealed by Multiple Short Molecular Dynamics Simulations and Free-Energy Predictions.

Chen J, Wang J, Yin B, Pang L, Wang W, Zhu W. Chen J, et al. Among authors: wang w, wang j. ACS Chem Neurosci. 2019 Oct 16;10(10):4303-4318. doi: 10.1021/acschemneuro.9b00348. Epub 2019 Oct 2. ACS Chem Neurosci. 2019. PMID: 31545898

6

Velocity-scaling optimized replica exchange molecular dynamics of proteins in a hybrid explicit/implicit solvent.

Wang J, Zhu W, Li G, Hansmann UH. Wang J, et al. J Chem Phys. 2011 Aug 28;135(8):084115. doi: 10.1063/1.3624401. J Chem Phys. 2011. PMID: 21895167

7

Insight into the binding mode and the structural features of the pyrimidine derivatives as human A2A adenosine receptor antagonists.

Zhang L, Liu T, Wang X, Wang J, Li G, Li Y, Yang L, Wang Y. Zhang L, et al. Among authors: wang x, wang j, wang y. Biosystems. 2014 Jan;115:13-22. doi: 10.1016/j.biosystems.2013.04.003. Epub 2013 May 9. Biosystems. 2014. PMID: 23665268

8

A comparative study of trypsin specificity based on QM/MM molecular dynamics simulation and QM/MM GBSA calculation.

Chen J, Wang J, Zhang Q, Chen K, Zhu W. Chen J, et al. Among authors: wang j. J Biomol Struct Dyn. 2015;33(12):2606-18. doi: 10.1080/07391102.2014.1003146. Epub 2015 Jan 23. J Biomol Struct Dyn. 2015. PMID: 25562613

9

Probing Origin of Binding Difference of inhibitors to MDM2 and MDMX by Polarizable Molecular Dynamics Simulation and QM/MM-GBSA Calculation.

Chen J, Wang J, Zhang Q, Chen K, Zhu W. Chen J, et al. Among authors: wang j. Sci Rep. 2015 Nov 30;5:17421. doi: 10.1038/srep17421. Sci Rep. 2015. PMID: 26616018 Free PMC article.

10

Molecular Mechanism and Energy Basis of Conformational Diversity of Antibody SPE7 Revealed by Molecular Dynamics Simulation and Principal Component Analysis.

Chen J, Wang J, Zhu W. Chen J, et al. Among authors: wang j. Sci Rep. 2016 Nov 10;6:36900. doi: 10.1038/srep36900. Sci Rep. 2016. PMID: 27830740 Free PMC article.

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