Found 256 results
Curcio R., Caflisch A., Paci E..  2005.  Change of the unbinding mechanism upon a mutation: A molecular dynamics study of an antibody-hapten complex. Protein Science. 14(10):2499-2514.
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.
Rao F., Settanni G., Guarnera E., Caflisch A..  2005.  Estimation of protein folding probability from equilibrium simulations. Journal of Chemical Physics. 122(18):184901.
Kolb P., Cecchini M., Huang D., Caflisch A..  2005.  Fragment-based high-throughput docking. Virtual Screening in Drug Discovery. :349-378.
Gorfe A.A, Caflisch A..  2005.  Functional plasticity in the substrate binding site of beta-secretase. Structure. 13(10):1487-1498.
Muff S., Rao F., Caflisch A..  2005.  Local modularity measure for network clusterizations. Physical Review E: Statistical, Nonlinear, and Soft Matter Physics. 72(5.2):056107.
Caflisch A., Paci E..  2005.  Molecular dynamics simulations to study protein folding and unfolding. Protein Folding Handbook. 1:1143-1169.
Tartaglia G.G, Pellarin R., Cavalli A., Caflisch A..  2005.  Organism complexity anti-correlates with proteomic beta-aggregation propensity. Protein Science. 14(10):2735-2740.
Settanni G., Rao F., Caflisch A..  2005.  Phi-value analysis by molecular dynamics simulations of reversible folding. Proceedings of the National Academy of Sciences of the United States of America. 102(3):628-633.
Tartaglia G.G, Cavalli A., Pellarin R., Caflisch A..  2005.  Prediction of aggregation rate and aggregation-prone segments in polypeptide sequences. Protein Science. 14(10):2723-2734.
Böckmann R.A, Caflisch A..  2005.  Spontaneous formation of detergent micelles around the outer membrane protein OmpX. Biophysical Journal. 88(5):3191-3204.