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  • Currently displaying 20581 - 20600 of 30663 publications
Author(s)
Publication title
Journal Name
Publication year
Thermodynamically self-consistent liquid state theories for systems with bounded potentials.
BM Mladek, G Kahl, M Neumann
The Journal of Chemical Physics
(2006)
124
Harvesting chemical information from the Internet using a distributed approach: ChemXtreme
M Karthikeyan, S Krishnan, AK Pandey, A Bender
J Chem Inf Model
(2006)
46
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
Journal of molecular biology
(2006)
356
Translocation boost protein-folding efficiency of double-barreled chaperonins
I Coluzza, SM van der Vies, D Frenkel
Biophysical Journal
(2006)
90
Forward Flux Sampling-type schemes for simulating rare events: Efficiency analysis
RJ Allen, D Frenkel, PRT Wolde
(2006)
Super-Arrhenius diffusion in an undercooled binary Lennard-Jones liquid results from a quantifiable correlation effect.
VK de Souza, DJ Wales
Phys Rev Lett
(2006)
96
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 Lett
(2006)
6
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
Synthesis of Li1+alpha V3O8 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)
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
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
(2006)
103
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
Preparation of the Neolignan Natural Product Grossamide by a Continuous-Flow Process
S Ley, I Baxendale, C Griffiths-Jones, G Tranmer
Synlett
(2006)
2006
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
J Chem Inf Model
(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, C7H 3S2N2•
A Alberola, RJ Collis, SM Humphrey, RJ Less, JM Rawson
Inorg Chem
(2006)
45
Diode laser spectroscopy of the nu(2) fundamental band of cis-HOPO
PJ O’Sullivan, PA Hamilton, PB Davies, JM Turney, HF Schaefer
Journal of Molecular Spectroscopy
(2006)
235