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- Currently displaying 19801 - 19820 of 29868 publications
Equilibrium free energies from fast-switching trajectories with large time steps.
The Journal of chemical physics
(2006)
124
044113
(doi: 10.1063/1.21652874)
Core domain interactions in full-length p53 in solution.
Proceedings of the National Academy of Sciences
(2006)
103
2115
(doi: 10.1073/pnas.0511130103)
Insertion and Assembly of Membrane Proteins via Simulation
Journal of the American Chemical Society
(2006)
128
2697
(doi: 10.1021/ja0569104)
Characterizing bitterness: Identification of key structural features and development of a classification model
Journal of chemical information and modeling
(2006)
46
569
(doi: 10.1021/ci0504418)
Structural biology and bioinformatics in drug design: opportunities and challenges for target identification and lead discovery
Philosophical Transactions of the Royal Society B Biological Sciences
(2006)
361
413
(doi: 10.1098/rstb.2005.1800)
Mild Aerobic Oxidative Palladium (II) Catalyzed C−H Bond Functionalization: Regioselective and Switchable C−H Alkenylation and Annulation of Pyrroles
J Am Chem Soc
(2006)
128
2528
(doi: 10.1021/ja058141u)
Spin Transitions in a Dithiazolyl Radical: Preparation, Crystal Structures, and Magnetic Properties of 3-Cyanobenzo-1,3,2-dithiazolyl, C7H3S2N2 •
Inorg Chem
(2006)
45
1903
(doi: 10.1021/ic051935p)
Diode laser spectroscopy of the ν2 fundamental band of cis-HOPO
Journal of Molecular Spectroscopy
(2006)
235
248
(doi: 10.1016/j.jms.2005.11.013)
Synthesis of Zinc, Copper, Nickel, Cobalt, and Iron Complexes Using Tris(pyrazolyl)methane Sulfonate Ligands: A Structural Model for N,N,O Binding in Metalloenzymes
Inorg Chem
(2006)
45
2242
(doi: 10.1021/ic051579a)
Simulation of single-file ion transport with the lattice Fokker-Planck equation - art. no. 017701
Phys Rev E Stat Nonlin Soft Matter Phys
(2006)
73
017701
(doi: 10.1103/PhysRevE.73.017701)
Formation of polymorphic cluster phases for a class of models of purely repulsive soft spheres
Phys Rev Lett
(2006)
96
045701
Equilibrium free energies from fast-switching trajectories with large time steps.
The Journal of chemical physics
(2006)
124
044113
(doi: 10.1063/1.2162874)
Cytochrome display on amyloid fibrils.
Journal of the American Chemical Society
(2006)
128
2162
(doi: 10.1021/ja0565673)
NMR dynamic studies suggest that allosteric activation regulates ligand binding in chicken liver bile acid-binding protein.
The Journal of biological chemistry
(2006)
281
9697
(doi: 10.1074/jbc.m513003200)
S-[4-(2,2,4-trimethylchroman-4-yl)phenyl] N,N-dimethylthiocarbamate
Acta Crystallographica Section E: Crystallographic Communications
(2006)
62
o691
(doi: 10.1107/S160053680600167X)
Structural DNA profiles: single sequence queries.
Journal of chemical information and modeling
(2006)
46
743
(doi: 10.1021/ci050385a)
Lightweight dew-/frost-point hygrometer based on a surface-acoustic-wave sensor for balloon-borne atmospheric water vapor profile sounding
Review of Scientific Instruments
(2006)
77
014502
(doi: 10.1063/1.2140275)
Large-scale synthesis of alkyne-linked tripodal porphyrins via palladium-mediated coupling conditions
Chemical Communications
(2006)
1085
(doi: 10.1039/b515902d)
The central region of HDM2 provides a second binding site for p53
Proceedings of the National Academy of Sciences
(2006)
103
1227
(doi: 10.1073/pnas.0510343103)
Equilibrium thermodynamics from basin-sampling (13 pages).
Journal of Chemical Physics
(2006)
124
044102
(doi: 10.1063/1.2148958)
