Huang D - Search Results

1

Selectively Disrupting m⁶A-Dependent Protein-RNA Interactions with Fragments.

Bedi RK, Huang D, Wiedmer L, Li Y, Dolbois A, Wojdyla JA, Sharpe ME, Caflisch A, Sledz P. Bedi RK, et al. Among authors: huang d. ACS Chem Biol. 2020 Mar 20;15(3):618-625. doi: 10.1021/acschembio.9b00894. Epub 2020 Mar 2. ACS Chem Biol. 2020. PMID: 32101404

2

Efficient evaluation of binding free energy using continuum electrostatics solvation.

Huang D, Caflisch A. Huang D, et al. J Med Chem. 2004 Nov 4;47(23):5791-7. doi: 10.1021/jm049726m. J Med Chem. 2004. PMID: 15509178

3

Discovery of cell-permeable non-peptide inhibitors of beta-secretase by high-throughput docking and continuum electrostatics calculations.

Huang D, Lüthi U, Kolb P, Edler K, Cecchini M, Audetat S, Barberis A, Caflisch A. Huang D, et al. J Med Chem. 2005 Aug 11;48(16):5108-11. doi: 10.1021/jm050499d. J Med Chem. 2005. PMID: 16078830

4

In silico discovery of beta-secretase inhibitors.

Huang D, Lüthi U, Kolb P, Cecchini M, Barberis A, Caflisch A. Huang D, et al. J Am Chem Soc. 2006 Apr 26;128(16):5436-43. doi: 10.1021/ja0573108. J Am Chem Soc. 2006. PMID: 16620115

5

Discovery of kinase inhibitors by high-throughput docking and scoring based on a transferable linear interaction energy model.

Kolb P, Huang D, Dey F, Caflisch A. Kolb P, et al. Among authors: huang d. J Med Chem. 2008 Mar 13;51(5):1179-88. doi: 10.1021/jm070654j. Epub 2008 Feb 14. J Med Chem. 2008. PMID: 18271520

6

Structure-based tailoring of compound libraries for high-throughput screening: discovery of novel EphB4 kinase inhibitors.

Kolb P, Kipouros CB, Huang D, Caflisch A. Kolb P, et al. Among authors: huang d. Proteins. 2008 Oct;73(1):11-8. doi: 10.1002/prot.22028. Proteins. 2008. PMID: 18384152

7

Is quantum mechanics necessary for predicting binding free energy?

Zhou T, Huang D, Caflisch A. Zhou T, et al. Among authors: huang d. J Med Chem. 2008 Jul 24;51(14):4280-8. doi: 10.1021/jm800242q. Epub 2008 Jun 25. J Med Chem. 2008. PMID: 18578469

8

Discovery of a non-peptidic inhibitor of west nile virus NS3 protease by high-throughput docking.

Ekonomiuk D, Su XC, Ozawa K, Bodenreider C, Lim SP, Yin Z, Keller TH, Beer D, Patel V, Otting G, Caflisch A, Huang D. Ekonomiuk D, et al. Among authors: huang d. PLoS Negl Trop Dis. 2009;3(1):e356. doi: 10.1371/journal.pntd.0000356. Epub 2009 Jan 13. PLoS Negl Trop Dis. 2009. PMID: 19159012 Free PMC article.

9

Flaviviral protease inhibitors identified by fragment-based library docking into a structure generated by molecular dynamics.

Ekonomiuk D, Su XC, Ozawa K, Bodenreider C, Lim SP, Otting G, Huang D, Caflisch A. Ekonomiuk D, et al. Among authors: huang d. J Med Chem. 2009 Aug 13;52(15):4860-8. doi: 10.1021/jm900448m. J Med Chem. 2009. PMID: 19572550

10

Library screening by fragment-based docking.

Huang D, Caflisch A. Huang D, et al. J Mol Recognit. 2010 Mar-Apr;23(2):183-93. doi: 10.1002/jmr.981. J Mol Recognit. 2010. PMID: 19718684 Free article. Review.

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