AAAAAA
Results: 26-50/80
Authors:
Vitkup, D
Ringe, D
Petsko, GA
Karplus, M
Citation: D. Vitkup et al., Solvent mobility and the protein 'glass' transition, NAT ST BIOL, 7(1), 2000, pp. 34-38
Authors:
Dinner, AR
Sali, A
Smith, LJ
Dobson, CM
Karplus, M
Citation: Ar. Dinner et al., Understanding protein folding via free-energy surfaces from theory and experiment, TRENDS BIOC, 25(7), 2000, pp. 331-339
Authors:
Lazaridis, T
Karplus, M
Citation: T. Lazaridis et M. Karplus, Effective energy functions for protein structure prediction, CURR OP STR, 10(2), 2000, pp. 139-145
Authors:
Caflisch, A
Schramm, HJ
Karplus, M
Citation: A. Caflisch et al., Design of dimerization inhibitors of HIV-1 aspartic proteinase: A computer-based combinatorial approach, J COMPUT A, 14(2), 2000, pp. 161-179
Authors:
Marti-Renom, MA
Stote, RH
Querol, E
Aviles, FX
Karplus, M
Citation: Ma. Marti-renom et al., Structures of scrambled disulfide forms of the potato carboxypeptidase inhibitor predicted by molecular dynamics simulations with constraints, PROTEINS, 40(3), 2000, pp. 482-493
Authors:
Stultz, CM
Karplus, M
Citation: Cm. Stultz et M. Karplus, Dynamic ligand design and combinatorial optimization: Designing inhibitorsto endothiapepsin, PROTEINS, 40(2), 2000, pp. 258-289
Authors:
So, SS
van Helden, SP
van Geerestein, VJ
Karplus, M
Citation: Ss. So et al., Quantitative structure - Activity relationship studies of progesterone receptor binding steroids, J CHEM INF, 40(3), 2000, pp. 762-772
Authors:
Paci, E
Karplus, M
Citation: E. Paci et M. Karplus, Unfolding proteins by external forces and temperature: The importance of topology and energetics, P NAS US, 97(12), 2000, pp. 6521-6526
Authors:
Shalev, H
Moser, A
Kapelushnik, J
Karplus, M
Zucker, N
Yaniv, I
Tamary, H
Citation: H. Shalev et al., Congenital dyserythropoietic anemia type I presenting as persistent pulmonary hypertension of the newborn, J PEDIAT, 136(4), 2000, pp. 553-555
Authors:
Ma, JP
Sigler, PB
Xu, ZH
Karplus, M
Citation: Jp. Ma et al., A dynamic model for the allosteric mechanism of GroEL, J MOL BIOL, 302(2), 2000, pp. 303-313
Authors:
Michielin, O
Luescher, I
Karplus, M
Citation: O. Michielin et al., Modeling of the TCR-MHC-peptide complex, J MOL BIOL, 300(5), 2000, pp. 1205-1235
Authors:
Cui, Q
Karplus, M
Citation: Q. Cui et M. Karplus, Molecular properties from combined QM/MM methods. I. Analytical second derivative and vibrational calculations, J CHEM PHYS, 112(3), 2000, pp. 1133-1149
Authors:
Zhou, YQ
Cook, M
Karplus, M
Citation: Yq. Zhou et al., Protein motions at zero-total angular momentum: The importance of long-range correlations, BIOPHYS J, 79(6), 2000, pp. 2902-2908
Authors:
Shinwell, ES
Karplus, M
Reich, D
Weintraub, Z
Blazer, S
Bader, D
Yurman, S
Dolfin, T
Kogan, A
Dollberg, S
Arbel, E
Goldberg, M
Gur, I
Naor, N
Sirota, L
Mogilner, S
Zaritsky, A
Barak, M
Gottfried, E
Citation: Es. Shinwell et al., Early postnatal dexamethasone treatment and increased incidence of cerebral palsy, ARCH DIS CH, 83(3), 2000, pp. F177-F181
Ab initio QM/MM study of the citrate synthase mechanism. A low-barrier hydrogen bond is not involved
Authors:
Mulholland, AJ
Lyne, PD
Karplus, M
Citation: Aj. Mulholland et al., Ab initio QM/MM study of the citrate synthase mechanism. A low-barrier hydrogen bond is not involved, J AM CHEM S, 122(3), 2000, pp. 534-535
Authors:
Lyne, PD
Karplus, M
Citation: Pd. Lyne et M. Karplus, Determination of the pK(a) of the 2 '-hydroxyl group of a phosphorylated ribose: Implications for the mechanism of hammerhead ribozyme catalysis, J AM CHEM S, 122(1), 2000, pp. 166-167
Authors:
Dinner, AR
Karplus, M
Citation: Ar. Dinner et M. Karplus, The thermodynamics and kinetics of protein folding: A lattice model analysis of multiple pathways with intermediates, J PHYS CH B, 103(37), 1999, pp. 7976-7994
Authors:
Simonson, T
Archontis, G
Karplus, M
Citation: T. Simonson et al., A Poisson-Boltzmann study of charge insertion in an enzyme active site: The effect of dielectric relaxation, J PHYS CH B, 103(29), 1999, pp. 6142-6156
Authors:
van Vlijmen, HWT
Karplus, M
Citation: Hwt. Van Vlijmen et M. Karplus, Analysis of calculated normal modes of a set of native and partially unfolded proteins, J PHYS CH B, 103(15), 1999, pp. 3009-3021
Authors:
Bartels, C
Schaefer, M
Karplus, M
Citation: C. Bartels et al., Adaptive umbrella sampling of the potential energy: modified updating procedure of the umbrella potential and application to peptide folding, THEOR CH AC, 101(1-3), 1999, pp. 62-66
Authors:
Leclerc, F
Karplus, M
Citation: F. Leclerc et M. Karplus, MCSS-based predictions of RNA binding sites, THEOR CH AC, 101(1-3), 1999, pp. 131-137
Authors:
Schaefer, M
Bartels, C
Karplus, M
Citation: M. Schaefer et al., Solution conformations of structured peptides: continuum electrostatics versus distance-dependent dielectric functions, THEOR CH AC, 101(1-3), 1999, pp. 194-204
Authors:
York, DM
Karplus, M
Citation: Dm. York et M. Karplus, A smooth solvation potential based on the conductor-like screening model, J PHYS CH A, 103(50), 1999, pp. 11060-11079
Authors:
Lyne, PD
Hodoscek, M
Karplus, M
Citation: Pd. Lyne et al., A hybrid QM-MM potential employing Hartree-Fock or density functional methods in the quantum region, J PHYS CH A, 103(18), 1999, pp. 3462-3471
Authors:
Boresch, S
Karplus, M
Citation: S. Boresch et M. Karplus, The role of bonded terms in free energy simulations: Theoretical analysis, J PHYS CH A, 103(1), 1999, pp. 103-118