| 1 |
Assessment of two theoretical methods to estimate potentiometric titration curves of peptides: Comparison with experiment
Makowska J, Baginska K, Makowski M, Jagielska A, Liwo A, Kasprzykowski F, Chmurzynski L, Scheraga HA
Journal of Physical Chemistry B, 110(9), 4451, 2006 |
| 2 |
A new force field (ECEPP-05) for peptides, proteins, and organic molecules
Arnautova YA, Jagielska A, Scheraga HA
Journal of Physical Chemistry B, 110(10), 5025, 2006 |
| 3 |
Molecular dynamics with the united-residue model of polypeptide chains. II. Langevin and Berendsen-Bath dynamics and tests on model alpha-helical systems
Khalili M, Liwo A, Jagielska A, Scheraga HA
Journal of Physical Chemistry B, 109(28), 13798, 2005 |
| 4 |
Derivation of a new force field for crystal-structure prediction using global optimization: Nonbonded potential parameters for amines, imidazoles, amides, and carboxylic acids
Jagielska A, Arnautova YA, Scheraga HA
Journal of Physical Chemistry B, 108(32), 12181, 2004 |
| 5 |
Derivation of a new force field for crystal-structure prediction using global optimization: Nonbonded potential parameters for hydrocarbons and alcohols
Arnautova YA, Jagielska A, Pillardy J, Scheraga HA
Journal of Physical Chemistry B, 107(29), 7143, 2003 |
| 6 |
Electrostatically driven electronic molecular bistability: Ab initio calculation for a model (LiF)(n) system
Jagielska A, Piela L
Journal of Chemical Physics, 112(6), 2579, 2000 |
| 7 |
Ab initio theoretical study of interactions in borazane molecule
Jagielska A, Moszynski R, Piela L
Journal of Chemical Physics, 110(2), 947, 1999 |
