| 1 |
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 |
| 2 |
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 |
| 3 |
Global optimization-based method for deriving intermolecular potential parameters for crystals
Arnautova YA, Pillardy J, Czaplewski C, Scheraga HA
Journal of Physical Chemistry B, 107(3), 712, 2003 |
| 4 |
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 |
| 5 |
Development of physics-based energy functions that predict medium-resolution structures for proteins of the alpha,beta and alpha/beta structural classes
Pillardy J, Czaplewski C, Liwo A, Wedemeyer WJ, Lee J, Ripoll DR, Arlukowicz P, Oldziej S, Arnautova YA, Scheraga HA
Journal of Physical Chemistry B, 105(30), 7299, 2001 |
| 6 |
Reply to "Comment on'Crystal structure prediction by global optimization as a tool for evaluating potentials: Role of the dipole moment correction term in successful predictions"' by B. P. van Eijck and J. Kroon
Wedemeyer WJ, Arnautova YA, Pillardy J, Wawak RJ, Czaplewski C, Scheraga HA
Journal of Physical Chemistry B, 104(33), 8090, 2000 |
| 7 |
Crystal structure prediction by global optimization as a tool for evaluating potentials: Role of the dipole moment correction term in successful predictions
Pillardy J, Wawak RJ, Arnautova YA, Czaplewski C, Scheraga HA
Journal of the American Chemical Society, 122(5), 907, 2000 |
