Found 255 results
Filters: Author is Caflisch, A.  [Clear All Filters]
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.
Gsponer J., Caflisch A..  2002.  Molecular dynamics simulations of protein folding from the transition state. Proceedings of the National Academy of Sciences of the United States of America. 99(10):6719-6724.
Taufer M., Perathoner E., Cavalli A., Caflisch A., Stricker T..  2002.  Performance characterization of a molecular dynamics code on PC clusters: Is there any easy parallelism in CHARMM? Parallel and Distributed Processing Symposium, Proceedings International (IPDPS 2002).
Cavalli A., Ferrara P., Caflisch A..  2002.  Weak temperature dependence of the free energy surface and folding pathways of structured peptides.. Proteins: Structure, Function, and Bioinformatics. 47(3):305-314.
Majeux N., Scarsi M., Caflisch A..  2001.  Efficient electrostatic solvation model for protein-fragment docking. Proteins: Structure, Function, and Bioinformatics. 42(2):256-268.
Budin N., Ahmed S., Majeux N., Caflisch A..  2001.  An evolutionary approach for structure-based design of natural and non-natural peptidic ligands. Combinatorial Chemistry & High Throughput Screening. 4(8):661-673.
Tenette-Souaille C., Budin N., Majeux N., Caflisch A..  2001.  Fast continuum electrostatics methods for structure-based ligand docking. Combinatorial Library Design and Evaluation. :197-231.
Gsponer J., Ferrara P., Caflisch A..  2001.  Flexibility of the murine prion protein and its Asp178Asn mutant investigated by molecular dynamics simulations. Journal of Molecular Graphics and Modelling. 20(2):169-182.
Paci E., Caflisch A., Plückthun A., Karplus M..  2001.  Forces and energetics of hapten-antibody dissociation: A biased molecular dynamics simulation study. Journal of Molecular Biology. 314(3):589-605.
Budin N., Majeux N., Caflisch A..  2001.  Fragment-based flexible ligand docking by evolutionary optimization. Biological Chemistry. 382(9):1365-1372.
Ahmed S., Majeux N., Caflisch A..  2001.  Hydrophobicity and functionality maps of farnesyltransferase. Journal of Molecular Graphics and Modelling. 19(3-4):307-317.
Ferrara P., Caflisch A..  2001.  Native topology or specific interactions: What is more important for protein folding? Journal of Molecular Biology. 306(4):837-850.