AAAAAA

   
Results: 1-15 |
Results: 15
Optimization of parameters in macromolecular potential energy functions byconformational space annealing
Authors: Lee, J Ripoll, DR Czaplewski, C Pillardy, J Wedemeyer, WJ Scheraga, HA
Citation: J. Lee et al., Optimization of parameters in macromolecular potential energy functions byconformational space annealing, J PHYS CH B, 105(30), 2001, pp. 7291-7298
Development of physics-based energy functions that predict medium-resolution structures for proteins of the alpha,beta and alpha/beta structural classes
Authors: Pillardy, J Czaplewski, C Liwo, A Wedemeyer, WJ Lee, J Ripoll, DR Arlukowicz, P Oldziej, S Arnautova, YA Scheraga, HA
Citation: J. Pillardy et al., Development of physics-based energy functions that predict medium-resolution structures for proteins of the alpha,beta and alpha/beta structural classes, J PHYS CH B, 105(30), 2001, pp. 7299-7311
Conformation-family Monte Carlo: A new method for crystal structure prediction
Authors: Pillardy, J Arnautova, YA Czaplewski, C Gibson, KD Scheraga, HA
Citation: J. Pillardy et al., Conformation-family Monte Carlo: A new method for crystal structure prediction, P NAS US, 98(22), 2001, pp. 12351-12356
Cumulant-based expressions for the multibody terms for the correlation between local and electrostatic interactions in the united-residue force field
Authors: Liwo, A Czaplewski, C Pillardy, J Scheraga, HA
Citation: A. Liwo et al., Cumulant-based expressions for the multibody terms for the correlation between local and electrostatic interactions in the united-residue force field, J CHEM PHYS, 115(5), 2001, pp. 2323-2347
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
Authors: Wedemeyer, WJ Arnautova, YA Pillardy, J Wawak, RJ Czaplewski, C Scheraga, HA
Citation: Wj. Wedemeyer et al., 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, J PHYS CH B, 104(33), 2000, pp. 8090-8092
Hierarchical energy-based approach to protein-structure prediction: Blind-test evaluation with CASP3 targets
Authors: Lee, J Liwo, A Ripoll, DR Pillardy, J Saunders, JA Gibson, KD Scheraga, HA
Citation: J. Lee et al., Hierarchical energy-based approach to protein-structure prediction: Blind-test evaluation with CASP3 targets, INT J QUANT, 77(1), 2000, pp. 90-117
Conformation-Family Monte Carlo (CFMC): An efficient computational method for identifying the low-energy states of a macromolecule
Authors: Pillardy, J Czaplewski, C Wedemeyer, WJ Scheraga, HA
Citation: J. Pillardy et al., Conformation-Family Monte Carlo (CFMC): An efficient computational method for identifying the low-energy states of a macromolecule, HELV CHIM A, 83(9), 2000, pp. 2214-2230
Efficient parallel algorithms in global optimization of potential energy functions for peptides, proteins, and crystals
Authors: Lee, JY Pillardy, J Czaplewski, C Arnautova, Y Ripoll, DR Liwo, A Gibson, KD Wawak, RJ Scheraga, HA
Citation: Jy. Lee et al., Efficient parallel algorithms in global optimization of potential energy functions for peptides, proteins, and crystals, COMP PHYS C, 128(1-2), 2000, pp. 399-411
Crystal structure prediction by global optimization as a tool for evaluating potentials: Role of the dipole moment correction term in successful predictions
Authors: Pillardy, J Wawak, RJ Arnautova, YA Czaplewski, C Scheraga, HA
Citation: J. Pillardy et al., Crystal structure prediction by global optimization as a tool for evaluating potentials: Role of the dipole moment correction term in successful predictions, J AM CHEM S, 122(5), 2000, pp. 907-921
An efficient deformation-based global optimization method for off-lattice polymer chains: Self-consistent basin-to-deformed-basin mapping (SCBDBM). Application to united-residue polypeptide chains
Authors: Pillardy, J Liwo, A Groth, M Scheraga, HA
Citation: J. Pillardy et al., An efficient deformation-based global optimization method for off-lattice polymer chains: Self-consistent basin-to-deformed-basin mapping (SCBDBM). Application to united-residue polypeptide chains, J PHYS CH B, 103(34), 1999, pp. 7353-7366
Prediction of protein structure using a knowledge-based off-lattice united-residue force field and global optimization methods
Authors: Liwo, A Pillardy, J Kazmierkiewicz, R Wawak, RJ Groth, M Czaplewski, C Oldziej, S Scheraga, HA
Citation: A. Liwo et al., Prediction of protein structure using a knowledge-based off-lattice united-residue force field and global optimization methods, THEOR CH AC, 101(1-3), 1999, pp. 16-20
An efficient deformation-based global optimization method (self-consistentbasin-to-deformed-basin mapping (SCBDBM)). Application to Lennard-Jones atomic clusters
Authors: Pillardy, J Liwo, A Scheraga, HA
Citation: J. Pillardy et al., An efficient deformation-based global optimization method (self-consistentbasin-to-deformed-basin mapping (SCBDBM)). Application to Lennard-Jones atomic clusters, J PHYS CH A, 103(46), 1999, pp. 9370-9377
Surmounting the multiple-minima problem in protein folding
Authors: Scheraga, HA Lee, J Pillardy, J Ye, YJ Liwo, A Ripoll, D
Citation: Ha. Scheraga et al., Surmounting the multiple-minima problem in protein folding, J GLOB OPT, 15(3), 1999, pp. 235-260
Calculation of protein conformation by global optimization of a potential energy function
Authors: Lee, J Liwo, A Ripoll, DR Pillardy, J Scheraga, HA
Citation: J. Lee et al., Calculation of protein conformation by global optimization of a potential energy function, PROTEINS, 1999, pp. 204-208
Protein structure prediction by global optimization of a potential energy function
Authors: Liwo, A Lee, J Ripoll, DR Pillardy, J Scheraga, HA
Citation: A. Liwo et al., Protein structure prediction by global optimization of a potential energy function, P NAS US, 96(10), 1999, pp. 5482-5485
Risultati: 1-15 |