Found 291 results
Filters: Author is Caflisch, A.  [Clear All Filters]
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.
Cecchini M., Kolb P., Majeux N., Caflisch A..  2004.  Automated docking of highly flexible ligands by genetic algorithms: A critical assessment. Journal of Computational Chemistry. 25(3):412-422.
Huang D., Caflisch A..  2004.  Efficient evaluation of binding free energy using continuum electrostatics solvation. Journal of Medicinal Chemistry. 47(23):5791-5797.
Levy Y., Caflisch A., Onuchic J.N, Wolynes P.G.  2004.  The folding and dimerization of HIV-1 protease: Evidence for a stable monomer from simulations. Journal of Molecular Biology. 340(1):67-79.
Settanni G., Gsponer J., Caflisch A..  2004.  Formation of the folding nucleus of an SH3 domain investigated by loosely coupled molecular dynamics simulations. Biophysical Journal. 86(3):1691-1701.
Gorfe A.A, Pellarin R., Caflisch A..  2004.  Membrane localization and flexibility of a lipidated ras peptide studied by molecular dynamics simulations. Journal of the American Chemical Society. 126(46):15277-15286.
Rao F., Caflisch A..  2004.  The protein folding network. Journal of Molecular Biology. 342(1):299-306.
Caflisch A..  2004.  Protein folding: Simple models for a complex process. Structure. 12(10):1750-1752.
Cecchini M., Rao F., Seeber M., Caflisch A..  2004.  Replica exchange molecular dynamics simulations of amyloid peptide aggregation. Journal of Chemical Physics. 121(21):10748-10756.
Tartaglia G.G, Cavalli A., Pellarin R., Caflisch A..  2004.  The role of aromaticity, exposed surface, and dipole moment in determining protein aggregation rates. Protein Science. 13(7):1939-1941.
Gorfe A.A, Caflisch A., Jelesarov I..  2004.  The role of flexibility and hydration on the sequence-specific DNA recognition by the Tn916 integrase protein: A molecular dynamics analysis. Journal of Molecular Recognition. 17(2):120-131.
Paci E., Cavalli A., Vendruscolo M., Caflisch A..  2003.  Analysis of the distributed computing approach applied to the folding of a small β peptide. Proceedings of the National Academy of Sciences of the United States of America. 100(14):8217-8222.
Uk B., Taufer M., Stricker T., Settanni G., Cavalli A., Caflisch A..  2003.  Combining task- and data parallelism to speed up protein folding on a desktop grid platform. Proceedings of the 3rd IEEE/ACM International Symposium on Cluster Computing and the Grid (CCGrid 2003).
Haberthür U., Majeux N., Werner P., Caflisch A..  2003.  Efficient evaluation of the effective dielectric function of a macromolecule in aqueous solution. Journal of Computational Chemistry. 24(15):1936-1949.
Cavalli A., Haberthür U., Paci E., Caflisch A..  2003.  Fast protein folding on downhill energy landscape. Protein Science. 12(8):1801-1803.
Levy Y., Caflisch A..  2003.  Flexibility of monomeric and dimeric HIV-1 protease. The Journal of Physical Chemistry B. 107(13):3068-3079.
Caflisch A..  2003.  Folding for binding or binding for folding? Trends in Biotechnology. 21(10):423-425.
Rao F., Caflisch A..  2003.  Replica exchange molecular dynamics simulations of reversible folding. The Journal of Chemical Physics. 119(7):4035-4042.
Gsponer J., Haberthür U., Caflisch A..  2003.  The role of side-chain interactions in the early steps of aggregation: Molecular dynamics simulations of an amyloid-forming peptide from the yeast prion Sup35. Proceedings of the National Academy of Sciences of the United States of America. 100(9):5154-5159.
Werner P., Caflisch A..  2003.  A sphere-based model for the electrostatics of globular proteins. Journal of the American Chemical Society. 125(15):4600-4608.
Gorfe A.A, Ferrara P., Caflisch A., Marti D.N, Bosshard H.R, Jelesarov I..  2002.  Calculation of protein ionization equilibria with conformational sampling: pKa of a model leucine zipper, GCN4 and barnase. Proteins: Structure, Function, and Bioinformatics. 46(1):41-60.
Ferrara P., Apostolakis J., Caflisch A..  2002.  Evaluation of a fast implicit solvent model for molecular dynamics simulations.. Proteins: Structure, Function, and Bioinformatics. 46(1):24-33.
Majeux N., Scarsi M., Tenette-Souaille C., Caflisch A..  2002.  Hydrophobicity maps and docking of molecular fragments with solvation. Virtual Screening: An Alternative or Complement to High Throughput Screening? . 20:145-169.