| 1 |
Targeted molecular dynamics simulations of protein unfolding
Ferrara P, Apostolakis J, Caflisch A
Journal of Physical Chemistry B, 104(18), 4511, 2000 |
| 2 |
Thermodynamics and kinetics of folding of two model peptides investigated by molecular dynamics simulations
Ferrara P, Apostolakis J, Caflisch A
Journal of Physical Chemistry B, 104(20), 5000, 2000 |
| 3 |
Calculation of conformational transitions and barriers in solvated systems: Application to the alanine dipeptide in water
Apostolakis J, Ferrara P, Caflisch A
Journal of Chemical Physics, 110(4), 2099, 1999 |
| 4 |
Comparison of a GB solvation model with explicit solvent simulations : Potentials of mean force and conformational preferences of alanine dipeptide and 1,2-dichloroethane
Scarsi M, Apostolakis J, Caflisch A
Journal of Physical Chemistry B, 102(18), 3637, 1998 |
| 5 |
Continuum electrostatic energies of macromolecules in aqueous solutions
Scarsi M, Apostolakis J, Caflisch A
Journal of Physical Chemistry A, 101(43), 8098, 1997 |
| 6 |
Free-Energy Computations on the Shift of the Special Pair Redox Potential - Mutants of the Reaction-Center of Rhodobacter-Sphaeroides
Apostolakis J, Muegge I, Ermler U, Fritzsch G, Knapp EW
Journal of the American Chemical Society, 118(15), 3743, 1996 |
