Docking screens: right for the right reasons?
Kolb P, Irwi JJ, Curr Top Med Chem, 2009 - link
Docking and chemoinformatic screens for new ligands and targets.
Kolb P, Ferreira RS, Irwin JJ, Shoichet BK, Curr Opin Biotechnol, 2009 Aug - 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
Automatic and efficient decomposition of two-dimensional structures of small molecules for fragment-based high-throughput docking.
Kolb P, Caflisch A, J Med Chem, 2006 Dec 14 - 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
Automated docking of highly flexible ligands by genetic algorithms: a critical assessment.
Cecchini M, Kolb P, Majeux N, Caflisch A, J Comput Chem, 2004 Feb - link