Biblio

Found 10 results
Filters: Author is Apostolakis, J.  [Clear All Filters]
2002
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.
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.
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.
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.
1998
Scarsi M., Apostolakis J., Caflisch A..  1998.  Comparison of a GB solvation model with explicit solvent simulations:  Potentials of mean force and conformational preferences of alanine dipeptide and 1,2-dichloroethane. The Journal of Physical Chemistry B. 102(18):3637-3641.
Apostolakis J., Plückthun A., Caflisch A..  1998.  Docking small ligands in flexible binding sites. Journal of Computational Chemistry. 19(1):21–37.
1997
Scarsi M., Apostolakis J., Caflisch A..  1997.  Continuum electrostatic energies of macromolecules in aqueous solutions. The Journal of Physical Chemistry A. 101(43):8098-8106.