Biblio

Found 43 results
Filters: Keyword is Thermodynamics and Author is Caflisch, A.  [Clear All Filters]
2006
Pellarin R., Caflisch A..  2006.  Interpreting the aggregation kinetics of amyloid peptides. Journal of Molecular Biology. 360(4):882-892.
2005
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.
2004
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.
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.
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.
2003
Cavalli A., Haberthür U., Paci E., Caflisch A..  2003.  Fast protein folding on downhill energy landscape. Protein Science. 12(8):1801-1803.
2001
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.
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.
2000
Ferrara P., Apostolakis J., Caflisch A..  2000.  Computer simulations of protein folding by targeted molecular dynamics. Proteins: Structure, Function, and Bioinformatics. 39(3):252-260.
1999
Scarsi M., Majeux N., Caflisch A..  1999.  Hydrophobicity at the surface of proteins. Proteins: Structure, Function, and Bioinformatics. 37(4):565-755.
1996
Caflisch A..  1996.  Computational combinatorial ligand design: application to human α-thrombin. Journal of Computer-Aided Molecular Design. 10(5):372-396.
1994
Caflisch A., Karplus M..  1994.  Molecular dynamics simulation of protein denaturation: solvation of the hydrophobic cores and secondary structure of barnase. Proceedings of the National Academy of Sciences of the United States of America. 91(5):1746-1750.
1992
Caflisch A., Niederer P., Anliker M..  1992.  Monte Carlo minimization with thermalization for global optimization of polypeptide conformations in Cartesian coordinate space. Proteins: Structure, Function, and Bioinformatics. 14(1):102-109.

Pages