Biblio

Found 277 results
Filters: Author is Caflisch, A.  [Clear All Filters]
2000
Caflisch A., Schramm H.J, Karplus M..  2000.  Design of dimerization inhibitors of HIV-1 aspartic proteinase: A computer-based combinatorial approach. Journal of Computer-Aided Molecular Design. 14(2):161-179.
Ferrara P., Caflisch A..  2000.  Folding simulations of a three-stranded antiparallel β-sheet peptide. Proceedings of the National Academy of Sciences of the United States of America. 97(20):10780-10785.
Hiltpold A., Ferrara P., Gsponer J., Caflisch A..  2000.  Free energy surface of the helical peptide Y(MEARA)6. The Journal of Physical Chemistry B. 104(43):10080-10086.
Ferrara P., Apostolakis J., Caflisch A..  2000.  Targeted molecular dynamics simulations of protein unfolding. The Journal of Physical Chemistry B. 104(18):4511-4518.
Ferrara P., Apostolakis J., Caflisch A..  2000.  Thermodynamics and kinetics of folding of two model peptides investigated by molecular dynamics simulations. The Journal of Physical Chemistry B. 104(20):5000-5010.
1999
Apostolakis J., Ferrara P., Caflisch A..  1999.  Calculation of conformational transitions and barriers in solvated systems: Application to the alanine dipeptide in water. The Journal of Chemical Physics. 110(4):2099-2108.
Scarsi M., Caflisch A..  1999.  Comment on the validation of continuum electrostatics models. Journal of Computational Chemistry. 20(14):1533–1536.
Apostolakis J., Caflisch A..  1999.  Computational ligand design. Combinatorial Chemistry & High Throughput Screening. 2(2):91-104.
Majeux N., Scarsi M., Apostolakis J., Ehrhardt C., Caflisch A..  1999.  Exhaustive docking of molecular fragments with electrostatic solvation. Proteins: Structure, Function, and Bioinformatics. 37(1):88-105.
Scarsi M., Majeux N., Caflisch A..  1999.  Hydrophobicity at the surface of proteins. Proteins: Structure, Function, and Bioinformatics. 37(4):565-755.
Galzitskaya O., Caflisch A..  1999.  Solution conformation of phakellistatin 8 investigated by molecular dynamics simulations.. Journal of Molecular Graphics and Modelling. 17(1):19-27.
Caflisch A., Karplus M..  1999.  Structural details of urea binding to barnase: A molecular dynamics analysis. Structure. 7(5):477-488.
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.
Caflisch A., Karplus M..  1994.  Molecular dynamics studies of protein and peptide folding and unfolding. The Protein Folding Problem and Tertiary Structure Prediction. :193-230.

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