Found 288 results
Filters: Author is Caflisch, A.  [Clear All Filters]
Scherzer-Attali R., Pellarin R., Convertino M., Frydman-Marom A., Egoz-Matia N., Peled S., Levy-Sakin M., Shalev D.E, Caflisch A., Gazit E. et al..  2010.  Complete phenotypic recovery of an Alzheimer's disease model by a quinone-tryptophan hybrid aggregation inhibitor. PLoS One. 5(6):e11101.
Magno A., Caflisch A., Pellarin R..  2010.  Crowding effects on amyloid aggregation kinetics. The Journal of Physical Chemistry Letters. 1(20):3027-3032.
Sonda S., Morf L., Bottova I., Baetschmann H., Rehrauer H., Caflisch A., Hakimi M.-A., Hehl A.B.  2010.  Epigenetic mechanisms regulate stage differentiation in the minimized protozoan Giardia lamblia. Molecular Microbiology. 76(1):48-67.
Qi B., Muff S., Caflisch A., Dinner A.R.  2010.  Extracting physically intuitive reaction coordinates from transition networks of a beta-sheet miniprotein. The Journal of Physical Chemistry B. 114(20):6979-6989.
Marchand F., Caflisch A..  2010.  Fast analytical continuum treatments of solvation. Modeling Solvent Environments: Applications to Simulations of Biomolecules. :209-232.
Schuetz P., Wuttke R., Schuler B., Caflisch A..  2010.  Free energy surfaces from single-distance information. The Journal of Physical Chemistry B. 114(46):15227-15235.
Exner V., Alexandre C., Rosenfeldt G., Alfarano P., Nater M., Caflisch A., Gruissem W., Batschauer A., Hennig L..  2010.  A gain-of-function mutation of Arabidopsis cryptochrome1 promotes flowering. Plant Physiology. 154(4):1633-1645.
Zhou T., Caflisch A..  2010.  High-throughput virtual screening using quantum mechanical probes: Discovery of selective kinase inhibitors. ChemMedChem. 5(7):1007-1014.
Huang D., Zhou T., Lafleur K., Nevado C., Caflisch A..  2010.  Kinase selectivity potential for inhibitors targeting the ATP binding site: A network analysis. Bioinformatics. 26(2):198-204.
Huang D., Caflisch A..  2010.  Library screening by fragment-based docking. Journal of Molecular Recognition. 23(2):183-193.
Vitalis A., Caflisch A..  2010.  Micelle-like architecture of the monomer ensemble of Alzheimer's amyloid-β peptide in aqueous solution and its implications for Aβ aggregation. Journal of Molecular Biology. 403(1):148-165.
Friedman R., Caflisch A..  2010.  On the orientation of the catalytic dyad in aspartic proteases. Proteins. 78(6):1575-1582.
Messner S., Altmeyer M., Zhao H., Pozivil A., Roschitzki B., Gehrig P., Rutishauser D., Huang D., Caflisch A., Hottiger M.O.  2010.  PARP1 ADP-ribosylates lysine residues of the core histone tails. Nucleic Acids Research. 38(19):6350-6362.
Zhou T., Huang D., Caflisch A..  2010.  Quantum mechanical methods for drug design. Current Topics in Medicinal Chemistry. 10(1):33-45.
Kaiser-Bunbury C.N, Muff S., Memmott J., Müller C.B, Caflisch A..  2010.  The robustness of pollination networks to the loss of species and interactions: a quantitative approach incorporating pollinator behaviour. Ecology Letters. 13(4):442-52.
Paoli B., Pellarin R., Caflisch A..  2010.  Slow folding of cross-linked alpha-helical peptides due to steric hindrance. The Journal of Physical Chemistry B. 114(5):2023-2027.
Friedman R., Pellarin R., Caflisch A..  2010.  Soluble protofibrils as metastable intermediates in simulations of amyloid fibril degradation induced by lipid vesicles. The Journal of Physical Chemistry Letters. 1(2):471-474.
Convertino M., Pellarin R., Catto M., Carotti A., Caflisch A..  2009.  9,10-Anthraquinone hinders beta-aggregation: How does a small molecule interfere with Abeta-peptide amyloid fibrillation? Protein Science. 18(4):792-800.
Ekonomiuk D., Caflisch A..  2009.  Activation of the West Nile virus NS3 protease: Molecular dynamics evidence for a conformational selection mechanism. Protein Science. 18(5):1003-1111.
Friedman R., Pellarin R., Caflisch A..  2009.  Amyloid aggregation on lipid bilayers and its impact on membrane permeability. J. Mol. Biol.. 387(2):407-415.
Paoli B., Seeber M., Backus E.HG, Ihalainen J.A, Hamm P., Caflisch A..  2009.  Bulky side chains and non-native salt bridges slow down the folding of a cross-linked helical peptide: A combined molecular dynamics and time-resolved infrared spectroscopy study. The Journal of Physical Chemistry B. 113(13):4435-4442.
Brooks B.R, Brooks III C.L, Mackerell A.D, Nilsson L., Petrella R.J, Roux B., Won Y., Archontis G., Bartels C., Boresch S. et al..  2009.  CHARMM: The biomolecular simulation program. Journal of Computational Chemistry. 30(10):1545-1614.
Exner V., Aichinger E., Shu H., Wildhaber T., Alfarano P., Caflisch A., Gruissem W., Köhler C., Hennig L..  2009.  The chromodomain of LIKE HETEROCHROMATIN PROTEIN 1 is essential for H3K27me3 binding and function during Arabidopsis development. PLoS One. 4(4):e5335.
Zhou T., Caflisch A..  2009.  Data management system for distributed virtual screening. Journal of Chemical Information and Modeling. 49(1):145-152.
Ekonomiuk D., Su X.-C., Ozawa K., Bodenreider C., Lim S.P, Yin Z., Keller T.H, Beer D., Patel V., Otting G. et al..  2009.  Discovery of a non-peptidic inhibitor of west nile virus NS3 protease by high-throughput docking. PLoS Neglected Tropical Diseases. 3(1):e356.