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Results: 1-25 | 26-50 | 51-58
Results: 1-25/58
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
A fast method for calculating geometry-dependent net atomic charges for polypeptides
Authors: Cho, KH Kang, YK No, KT Scheraga, HA
Citation: Kh. Cho et al., A fast method for calculating geometry-dependent net atomic charges for polypeptides, J PHYS CH B, 105(17), 2001, pp. 3624-3634
Bovine pancreatic ribonuclease A: Oxidative and conformational folding studies
Authors: Scheraga, HA Wedemeyer, WJ Welker, E
Citation: Ha. Scheraga et al., Bovine pancreatic ribonuclease A: Oxidative and conformational folding studies, METH ENZYM, 341, 2001, pp. 189-221
A role for intermolecular disulfide bonds in prion diseases?
Authors: Welker, E Wedemeyer, WJ Scheraga, HA
Citation: E. Welker et al., A role for intermolecular disulfide bonds in prion diseases?, P NAS US, 98(8), 2001, pp. 4334-4336
Structural determinants of oxidative folding in proteins
Authors: Welker, E Narayan, M Wedemeyer, WJ Scheraga, HA
Citation: E. Welker et al., Structural determinants of oxidative folding in proteins, P NAS US, 98(5), 2001, pp. 2312-2316
Recent improvements in prediction of protein structure by global optimization of a potential energy function
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
Structure of the interferon-receptor complex determined by distance constraints from double-mutant cycles and flexible docking
Authors: Roisman, LC Piehler, J Trosset, JY Scheraga, HA Schreiber, G
Citation: Lc. Roisman et al., Structure of the interferon-receptor complex determined by distance constraints from double-mutant cycles and flexible docking, P NAS US, 98(23), 2001, pp. 13231-13236
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
Influence of lysine content and pH on the stability of alanine-based copolypeptides
Authors: Vila, JA Ripoll, DR Scheraga, HA
Citation: Ja. Vila et al., Influence of lysine content and pH on the stability of alanine-based copolypeptides, BIOPOLYMERS, 58(3), 2001, pp. 235-246
Folding of a disulfide-bonded protein species with free thiol(s): Competition between conformational folding and disulfide reshuffling in an intermediate of bovine pancreatic ribonuclease A
Authors: Saito, K Welker, E Scheraga, HA
Citation: K. Saito et al., Folding of a disulfide-bonded protein species with free thiol(s): Competition between conformational folding and disulfide reshuffling in an intermediate of bovine pancreatic ribonuclease A, BIOCHEM, 40(49), 2001, pp. 15002-15008
Coupling of conformational folding and disulfide-bond reactions in oxidative folding of proteins
Authors: Welker, E Wedemeyer, WJ Narayan, M Scheraga, HA
Citation: E. Welker et al., Coupling of conformational folding and disulfide-bond reactions in oxidative folding of proteins, BIOCHEM, 40(31), 2001, pp. 9059-9064
Effect of mutation of proline 93 on redox unfolding/folding of bovine pancreatic ribonuclease A
Authors: Cao, A Welker, E Scheraga, HA
Citation: A. Cao et al., Effect of mutation of proline 93 on redox unfolding/folding of bovine pancreatic ribonuclease A, BIOCHEM, 40(29), 2001, pp. 8536-8541
Local and long-range interactions in the thermal unfolding transition of bovine pancreatic ribonuclease A
Authors: Navon, A Ittah, V Laity, JH Scheraga, HA Haas, E Gussakovsky, EE
Citation: A. Navon et al., Local and long-range interactions in the thermal unfolding transition of bovine pancreatic ribonuclease A, BIOCHEM, 40(1), 2001, pp. 93-104
Distributions of intramolecular distances in the reduced and denatured states of bovine pancreatic ribonuclease A. Folding initiation structures in the C-terminal portions of the reduced protein
Authors: Navon, A Ittah, V Landsman, P Scheraga, HA Haas, E
Citation: A. Navon et al., Distributions of intramolecular distances in the reduced and denatured states of bovine pancreatic ribonuclease A. Folding initiation structures in the C-terminal portions of the reduced protein, BIOCHEM, 40(1), 2001, pp. 105-118
Development of a novel method to study the rate-determining step during protein regeneration: Application to the oxidative folding of RNase A at low temperature reveals BPTI-like kinetic traps
Authors: Narayan, M Welker, E Scheraga, HA
Citation: M. Narayan et al., Development of a novel method to study the rate-determining step during protein regeneration: Application to the oxidative folding of RNase A at low temperature reveals BPTI-like kinetic traps, J AM CHEM S, 123(12), 2001, pp. 2909-2910
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
Ion pair interactions in aqueous solution: Self-consistent reaction field (SCRF) calculations with some explicit water molecules
Authors: Cho, KH No, KT Scheraga, HA
Citation: Kh. Cho et al., Ion pair interactions in aqueous solution: Self-consistent reaction field (SCRF) calculations with some explicit water molecules, J PHYS CH A, 104(27), 2000, pp. 6505-6509
Molecular simulation study of cooperativity in hydrophobic association
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
Solution NMR evidence for a cis Tyr-Ala peptide group in the structure of [Pro93Ala] bovine pancreatic ribonuclease
Authors: Xiong, Y Juminaga, D Swapna, GVT Wedemeyer, WJ Scheraga, HA Montelione, GT
Citation: Y. Xiong et al., Solution NMR evidence for a cis Tyr-Ala peptide group in the structure of [Pro93Ala] bovine pancreatic ribonuclease, PROTEIN SCI, 9(2), 2000, pp. 421-426
Physical reasons for the unusual alpha-helix stabilization afforded by charged or neutral polar residues in alanine-rich peptides
Authors: Vila, JA Ripoll, DR Scheraga, HA
Citation: Ja. Vila et al., Physical reasons for the unusual alpha-helix stabilization afforded by charged or neutral polar residues in alanine-rich peptides, P NAS US, 97(24), 2000, pp. 13075-13079
Catalysis of the oxidative folding of bovine pancreatic ribonuclease a by protein disulfide isomerase
Authors: Shin, HC Scheraga, HA
Citation: Hc. Shin et Ha. Scheraga, Catalysis of the oxidative folding of bovine pancreatic ribonuclease a by protein disulfide isomerase, J MOL BIOL, 300(4), 2000, pp. 995-1003
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
Risultati: 1-25 | 26-50 | 51-58