Biblio

Found 9 results
Filters: Keyword is Amyloid Precursor Protein Secretases and Author is Caflisch, A.  [Clear All Filters]
2016
Ben Halima S., Mishra S., Raja K.MP, Willem M., Baici A., Simons K., Brüstle O., Koch P., Haass C., Caflisch A. et al..  2016.  Specific inhibition of β-secretase processing of the Alzheimer disease amyloid precursor protein. Cell Reports. 14(9):2127-2141.
2011
Mishra S., Caflisch A..  2011.  Dynamics in the active site of β-secretase: A network analysis of atomistic simulations. Biochemistry. 50(43):9328-9339.
2010
Huang D., Caflisch A..  2010.  Library screening by fragment-based docking. Journal of Molecular Recognition. 23(2):183-193.
Friedman R., Caflisch A..  2010.  On the orientation of the catalytic dyad in aspartic proteases. Proteins. 78(6):1575-1582.
2006
Kolb P., Caflisch A..  2006.  Automatic and efficient decomposition of two-dimensional structures of small molecules for fragment-based high-throughput docking. Journal of Medicinal Chemistry. 49(25):7384-7392.
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.
2005
Huang D., Lüthi U., Kolb P., Edler K., Cecchini M., Audetat S., Barberis A., Caflisch A..  2005.  Discovery of cell-permeable non-peptide inhibitors of beta-secretase by high-throughput docking and continuum electrostatics calculations. Journal of Medicinal Chemistry. 48(16):5108-5111.
Gorfe A.A, Caflisch A..  2005.  Functional plasticity in the substrate binding site of beta-secretase. Structure. 13(10):1487-1498.
2004
Huang D., Caflisch A..  2004.  Efficient evaluation of binding free energy using continuum electrostatics solvation. Journal of Medicinal Chemistry. 47(23):5791-5797.