Biblio

Found 12 results
Filters: Author is Caflisch, A. and Keyword is Algorithms  [Clear All Filters]
2020
Cocina F., Vitalis A., Caflisch A..  2020.  SAPPHIRE-based clustering. Journal of Chemical Theory and Computation. 16(10):6383–6396.
2011
Scalco R., Caflisch A..  2011.  Equilibrium distribution from distributed computing (simulations of protein folding). The Journal of Physical Chemistry B. 115(19):6358-6365.
Seeber M., Felline A., Raimondi F., Muff S., Friedman R., Rao F., Caflisch A., Fanelli F..  2011.  Wordom: A user-friendly program for the analysis of molecular structures, trajectories, and free energy surfaces. Journal of Computational Chemistry. 32(6):1183-1194.
2010
Zhou T., Lafleur K., Caflisch A..  2010.  Complementing ultrafast shape recognition with an optical isomerism descriptor. Journal of Molecular Graphics and Modelling. 29(3):443-449.
2008
Dey F., Caflisch A..  2008.  Fragment-based de novo ligand design by multiobjective evolutionary optimization. Journal of Chemical Information and Modeling. 48(3):679-690.
Krivov S.V, Muff S., Caflisch A., Karplus M..  2008.  One-dimensional barrier-preserving free-energy projections of a beta-sheet miniprotein: New insights into the folding process. The Journal of Physical Chemistry B. 112(29):8701-8714.
2007
Seeber M., Cecchini M., Rao F., Settanni G., Caflisch A..  2007.  Wordom: A program for efficient analysis of molecular dynamics simulations. Bioinformatics. 23(19):2625-2627.
2004
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.
2003
Cavalli A., Haberthür U., Paci E., Caflisch A..  2003.  Fast protein folding on downhill energy landscape. Protein Science. 12(8):1801-1803.
2001
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.
Budin N., Majeux N., Caflisch A..  2001.  Fragment-based flexible ligand docking by evolutionary optimization. Biological Chemistry. 382(9):1365-1372.
1992
Caflisch A., Niederer P., Anliker M..  1992.  Monte Carlo docking of oligopeptides to proteins. Proteins: Structure, Function, and Bioinformatics. 13(3):223-230.