Computational Structural Biology

Biblio

Found 5 results

Filters: Author is Huang, D. and Keyword is Protease Inhibitors [Clear All Filters]

2009

Ekonomiuk D., Su X.-C., Ozawa K., Bodenreider C., Lim S.P, Otting G., Huang D., Caflisch A.. 2009. Flaviviral protease inhibitors identified by fragment-based library docking into a structure generated by molecular dynamics. Journal of Medicinal Chemistry. 52(15):4860-4868.

Bodenreider C., Beer D., Keller T.H, Sonntag S., Wen D., Yap L., Yau Y.H, Shochat S.G, Huang D., Zhou T. et al.. 2009. A fluorescence quenching assay to discriminate between specific and nonspecific inhibitors of dengue virus protease. Analytical Biochemistry. 395(2):195-204.

Su X.-C., Ozawa K., Yagi H., Lim S.P, Wen D., Ekonomiuk D., Huang D., Keller T.H, Sonntag S., Caflisch A. et al.. 2009. NMR study of complexes between low molecular mass inhibitors and the West Nile virus NS2B-NS3 protease. FEBS Journal. 276(15):4244-4255.

2006

Huang D., Lüthi U., Kolb P., Cecchini M., Barberis A., Caflisch A.. 2006. In silico discovery of beta-secretase inhibitors. Journal of the American Chemical Society. 128(16):5436-5443.

2004

Huang D., Caflisch A.. 2004. Efficient evaluation of binding free energy using continuum electrostatics solvation. Journal of Medicinal Chemistry. 47(23):5791-5797.

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