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  • Currently displaying 19281 - 19300 of 29275 publications
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D Frenkel
Nature Materials
(2006)
5
Thermodynamically self-consistent liquid state theories for systems with bounded potentials - art. no. 064503
BM Mladek, G Kahl, M Neumann
The Journal of chemical physics
(2006)
124
Translocation Boost Protein-Folding Efficiency of Double-Barreled Chaperonins
I Coluzza, SM van der Vies, D Frenkel
Biophysical Journal
(2006)
90
Probing the mechanism of amyloidogenesis through a tandem repeat of the PI3-SH3 domain suggests a generic model for protein aggregation and fibril formation.
R Bader, R Bamford, J Zurdo, BF Luisi, CM Dobson
J Mol Biol
(2006)
356
Harvesting chemical information from the Internet using a distributed approach: ChemXtreme
M Karthikeyan, S Krishnan, AK Pandey, A Bender
Journal of Chemical Information and Modeling
(2006)
46
Reactive Uptake of N2O5 by Aerosol Particles Containing Mixtures of Humic Acid and Ammonium Sulfate
CL Badger, PT Griffiths, I George, JPD Abbatt, RA Cox
The journal of physical chemistry. A
(2006)
110
Enhancement of charge-transport characteristics in polymeric films using polymer brushes
GL Whiting, HJ Snaith, S Khodabakhsh, JW Andreasen, DW Breiby, MM Nielsen, NC Greenham, RH Friend, WTS Huck
Nano Letters
(2006)
6
Super-Arrhenius diffusion in an undercooled binary Lennard-Jones liquid results from a quantifiable correlation effect
VK de Souza, DJ Wales
Physical Review Letters
(2006)
96
Characterization of the organic composition of aerosols from Rondônia, Brazil, during the LBA-SMOCC 2002 experiment and its representation through model compounds
S Decesari, S Fuzzi, MC Facchini, M Mircea, L Emblico, F Cavalli, W Maenhaut, X Chi, G Schkolnik, A Falkovich, Y Rudich, M Claeys, V Pashynska, G Vas, I Kourtchev, R Vermeylen, A Hoffer, MO Andreae, E Tagliavini, F Moretti, P Artaxo
Atmospheric Chemistry and Physics
(2006)
6
Synthesis of Li1+αV3O8 via a gel precursor: Part II, from xerogel to the anhydrous material
M Dubarry, J Gaubicher, D Guyomard, N Steunou, J Livage, N Dupré, CP Grey
Chemistry of Materials
(2006)
18
Sulfur, normally a poison, strongly promotes chemoselective catalytic hydrogenation: Stereochemistry and reactivity of crotonaldehyde on clean and S-modified Cu(111)
ME Chiu, G Kyriakou, FJ Williams, DJ Watson, MS Tikhov, RM Lambert
Chemical Communications
(2006)
Solution structure of p53 core domain: structural basis for its instability.
JMP Cañadillas, H Tidow, SMV Freund, TJ Rutherford, HC Ang, AR Fersht
Proceedings of the National Academy of Sciences of the United States of America
(2006)
103
Preparation of the Neolignan Natural Product Grossamide by a Continuous-Flow Process
S Ley, I Baxendale, C Griffiths-Jones, G Tranmer
Synlett
(2006)
2006
Equilibrium free energies from fast-switching trajectories with large time steps - art. no. 044113
W Lechner, H Oberhofer, C Dellago, PL Geissler
Journal of Chemical Physics
(2006)
124
Core domain interactions in full-length p53 in solution
DB Veprintsev, SMV Freund, A Andreeva, SE Rutledge, H Tidow, JMP Cañadillas, CM Blair, AR Fersht
Proc Natl Acad Sci U S A
(2006)
103
Insertion and Assembly of Membrane Proteins via Simulation
PJ Bond, MSP Sansom
J Am Chem Soc
(2006)
128
Characterizing bitterness: identification of key structural features and development of a classification model.
S Rodgers, RC Glen, A Bender
Journal of Chemical Information and Modeling
(2006)
46
Structural biology and bioinformatics in drug design: opportunities and challenges for target identification and lead discovery.
TL Blundell, BL Sibanda, RW Montalvao, S Brewerton, V Chelliah, CL Worth, NJ Harmer, O Davies, D Burke
Philosophical Transactions of the Royal Society B Biological Sciences
(2006)
361
Mild Aerobic Oxidative Palladium (II) Catalyzed C−H Bond Functionalization: Regioselective and Switchable C−H Alkenylation and Annulation of Pyrroles
EM Beck, NP Grimster, R Hatley, MJ Gaunt
J Am Chem Soc
(2006)
128
Spin Transitions in a Dithiazolyl Radical: Preparation, Crystal Structures, and Magnetic Properties of 3-Cyanobenzo-1,3,2-dithiazolyl, C7H3S2N2 •
A Alberola, RJ Collis, SM Humphrey, RJ Less, JM Rawson
Inorganic Chemistry
(2006)
45