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Results: 1-25/29
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
Authors:
Rodziewicz-Motowidlo, S
Lesner, A
Legowska, A
Czaplewski, C
Liwo, A
Rolka, K
Patacchini, R
Quartara, L
Citation: S. Rodziewicz-motowidlo et al., Synthesis, activity on NK-(3) tachykinin receptor and conformational solution studies of scyliorhinin II analogs modified at position 16, J PEPT RES, 58(2), 2001, pp. 159-172
Authors:
Pillardy, A
Czaplewski, C
Liwo, A
Lee, J
Ripoll, DR
Kazmierkiewicz, R
Oldziej, S
Wedemeyer, WJ
Gibson, KD
Arnautova, YA
Saunders, J
Ye, YJ
Scheraga, HA
Citation: A. Pillardy et al., Recent improvements in prediction of protein structure by global optimization of a potential energy function, P NAS US, 98(5), 2001, pp. 2329-2333
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
Authors:
Groth, M
Malicka, J
Rodziewicz-Motowidlo, S
Czaplewski, C
Klaudel, L
Wiczk, W
Liwo, A
Citation: M. Groth et al., Determination of conformational equilibrium of peptides in solution by NMRspectroscopy and theoretical conformational analysis: Application to the calibration of mean-field solvation models, BIOPOLYMERS, 60(2), 2001, pp. 79-95
Authors:
Malicka, J
Groth, M
Czaplewski, C
Karolczak, J
Liwo, A
Wiczk, W
Citation: J. Malicka et al., Influence of solvent and configuration of residues at positions 2 and 3 ondistance and mobility of pharmacophore groups at positions 1 and 4 in cyclic enkephalin analogues, BIOPOLYMERS, 59(3), 2001, pp. 180-190
Authors:
Malicka, J
Groth, M
Karolczak, J
Czaplewski, C
Liwo, A
Wiczk, W
Citation: J. Malicka et al., Influence of solvents and leucine configuration at position 5 on tryptophan fluorescence in cyclic enkephalin analogues, BIOPOLYMERS, 58(4), 2001, pp. 447-457
Authors:
Malicka, J
Ganzynkowicz, R
Groth, M
Czaplewski, C
Karolczak, J
Liwo, A
Wiczk, W
Citation: J. Malicka et al., Fluorescence decay time distribution analysis of cyclic enkephalin analogues; Influence of solvent and Leu configuration in position on conformation, ACT BIOCH P, 48(1), 2001, pp. 95-102
Authors:
Rodziewicz-Motowidlo, S
Legowska, A
Qi, XF
Czaplewski, C
Liwo, A
Sowinski, P
Mozga, W
Olczak, J
Zabrocki, J
Rolka, K
Citation: S. Rodziewicz-motowidlo et al., Solution conformational study of Scyliorhinin I analogues with conformational constraints by two-dimensional NMR and theoretical conformational analysis, J PEPT RES, 56(3), 2000, pp. 132-146
Authors:
Czaplewski, C
Rodziewicz-Motowidlo, S
Liwo, A
Ripoll, DR
Wawak, RJ
Scheraga, HA
Citation: C. Czaplewski et al., Molecular simulation study of cooperativity in hydrophobic association, PROTEIN SCI, 9(6), 2000, pp. 1235-1245
Authors:
Klaudel, L
Rodziewicz-Motowidlo, S
Liwo, A
Rolka, K
Citation: L. Klaudel et al., A comparison of solution conformations of scyliorhinin I and its analogue with N-methyl-L-phenylalanine in position 7, POL J CHEM, 74(8), 2000, pp. 1091-1099
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
Authors:
Ossowski, T
Pipka, P
Liwo, A
Jeziorek, D
Citation: T. Ossowski et al., Electrochemical and UV-spectrophotometric study of oxygen and superoxide anion radical interaction with anthraquinone derivatives and their radical anions, ELECTR ACT, 45(21), 2000, pp. 3581-3587
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
Authors:
Bobrowski, M
Liwo, A
Oldziej, S
Jeziorek, D
Ossowski, T
Citation: M. Bobrowski et al., CAS MCSCF/CAS MCQDPT2 study of the mechanism of singlet oxygen addition to1,3-butadiene and benzene, J AM CHEM S, 122(34), 2000, pp. 8112-8119
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
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
Authors:
Makowski, M
Liwo, A
Wrobel, R
Chmurzynski, L
Citation: M. Makowski et al., Ab initio study of energetics of protonation and hydrogen bonding of pyridine N-oxide and its derivatives, J PHYS CH A, 103(50), 1999, pp. 11104-11108
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
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
Authors:
Groth, M
Malicka, J
Czaplewski, C
Oldziej, S
Lankiewicz, L
Wiczk, W
Liwo, A
Citation: M. Groth et al., Maximum entropy approach to the determination of solution conformation of flexible polypeptides by global conformational analysis and NMR spectroscopy - Application to DNS1-c-[D-A(2)bu(2), Trp(4),Leu(5)]-enkephalin and DNS1-c-[D-A(2)bu(2), Trp(4), d-Leu(5)]enkephalin, J BIOM NMR, 15(4), 1999, pp. 315-330
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
Authors:
Rodziewicz, S
Wirkus-Romanowska, I
Ciurak, M
Miecznikowska, H
Kupryszewski, G
Czaplewski, C
Liwo, A
Rolka, K
Citation: S. Rodziewicz et al., Cyclic analogues of proline-rich protein fragments. Part II: Conformational studies using NMR spectroscopy and theoretical conformational analysis, POL J CHEM, 73(10), 1999, pp. 1697-1710
Authors:
Lee, J
Liwo, A
Scheraga, HA
Citation: J. Lee et al., Energy-based de novo protein folding by conformational space annealing andan off-lattice united-residue force field: Application to the 10-55 fragment of staphylococcal protein A and to apo calbindin D9K, P NAS US, 96(5), 1999, pp. 2025-2030
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