| 1 |
Optimization of the UNRES force field by hierarchical design of the potential-energy landscape. 2. Off-lattice tests of the method with single proteins
Oldziej S, Liwo A, Czaplewski C, Pillardy J, Scheraga HA
Journal of Physical Chemistry B, 108(43), 16934, 2004 |
| 2 |
Improved conformational space annealing method to treat beta-structure with the UNRES force-field and to enhance scalability of parallel implementation
Czaplewski C, Liwo A, Pillardy J, Oldziej S, Scheraga HA
Polymer, 45(2), 677, 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 |
Cumulant-based expressions for the multibody terms for the correlation between local and electrostatic interactions in the united-residue force field
Liwo A, Czaplewski C, Pillardy J, Scheraga HA
Journal of Chemical Physics, 115(5), 2323, 2001 |
| 6 |
Optimization of parameters in macromolecular potential energy functions by conformational space annealing
Lee J, Ripoll DR, Czaplewski C, Pillardy J, Wedemeyer WJ, Scheraga HA
Journal of Physical Chemistry B, 105(30), 7291, 2001 |
| 7 |
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 |
| 8 |
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 |
| 9 |
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 |
| 10 |
An efficient deformation-based global optimization method (self-consistent basin-to-deformed-basin mapping (SCBDBM)). Application to Lennard-Jones atomic clusters
Pillardy J, Liwo A, Scheraga HA
Journal of Physical Chemistry A, 103(46), 9370, 1999 |
