Caflisch A - Search Results

1

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: caflisch a. 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.

2

Efficient evaluation of binding free energy using continuum electrostatics solvation.

Huang D, Caflisch A. Huang D, et al. Among authors: caflisch a. 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. Among authors: caflisch a. 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. Among authors: caflisch a. 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: caflisch a. 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: caflisch a. 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: caflisch a. 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

Activation of the West Nile virus NS3 protease: molecular dynamics evidence for a conformational selection mechanism.

Ekonomiuk D, Caflisch A. Ekonomiuk D, et al. Among authors: caflisch a. Protein Sci. 2009 May;18(5):1003-11. doi: 10.1002/pro.110. Protein Sci. 2009. PMID: 19388022 Free PMC article.

9

Discovery of plasmepsin inhibitors by fragment-based docking and consensus scoring.

Friedman R, Caflisch A. Friedman R, et al. Among authors: caflisch a. ChemMedChem. 2009 Aug;4(8):1317-26. doi: 10.1002/cmdc.200900078. ChemMedChem. 2009. PMID: 19472268 Free article.

10

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: caflisch a. J Med Chem. 2009 Aug 13;52(15):4860-8. doi: 10.1021/jm900448m. J Med Chem. 2009. PMID: 19572550

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

278 results

Search Page

Filters