Library screening by fragment-based docking.
Huang D, Caflisch A, J Mol Recognit, 2009 Aug 28 - link

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, J Med Chem, 2009 Aug 13 - link

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, PLoS Negl Trop Dis, 2009 - link

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, J Med Chem, 2008 Mar 13 - link

Discovery of cell-permeable non-peptide inhibitors of beta-secretase by high-throughput docking and continuum electrostatics calculations.
Huang D, Luthi U, Kolb P, Edler K, Cecchini M, Audetat S, Barberis A, Caflisch A, J Med Chem, 2005 Aug 11 - link