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  • Currently displaying 19741 - 19760 of 29882 publications
Author(s)
Publication title
Journal Name
Publication year
Distributed polarizabilities obtained using a constrained density-fitting algorithm
AJ Misquitta, AJ Stone
The Journal of Chemical Physics
(2006)
124
Redox behavior of tumor-inhibiting ruthenium(iii) complexes and effects of physiological reductants on their binding to GMP
P Schluga, CG Hartinger, A Egger, E Reisner, MS Galanski, MA Jakupec, BK Keppler
Dalton transactions (Cambridge, England : 2003)
(2006)
6
Heteroditopic Rebek's Imide Directs the Reactivity of Homoditopic Olefins within Desolvated Quaternary Assemblies in the Solid State
DB Varshney, X Gao, T Friscić, LR Macgillivray
Angewandte Chemie (International ed. in English)
(2006)
45
Crystal structures of Yersinia enterocolitica salicylate synthase and its complex with the reaction products salicylate and pyruvate
O Kerbarh, DY Chirgadze, TL Blundell, C Abell
J Mol Biol
(2006)
357
Simulating rare events in equilibrium or nonequilibrium stochastic systems - art. no. 024102
RJ Allen, D Frenkel, PR ten Wolde
J Chem Phys
(2006)
124
Thermal and UV shape shifting of surface topography
Z Yang, GA Herd, SM Clarke, AR Tajbakhsh, EM Terentjev, WTS Huck
J Am Chem Soc
(2006)
128
Nanoscale Pipetting for Controlled Chemistry in Small Arrayed Water Droplets Using a Double-Barrel Pipet
KT Rodolfa, A Bruckbauer, D Zhou, AI Schevchuk, YE Korchev, D Klenerman
Nano Letters
(2006)
6
Effect of the coll-globule transition on the free-energy barrier for intrachain crystal nucleation
WB Hu, D Frenkel
The Journal of Physical Chemistry B
(2006)
110
Immunomodulatory effects of Pseudomonas aeruginosa quorum sensing small molecule probes on mammalian macrophages
GL Thomas, CM Bohner, HE Williams, CM Walsh, M Ladlow, M Welch, CE Bryant, DR Spring
Mol Biosyst
(2006)
2
Genomic Data Analysis Using DNA Structure: An Analysis of Conserved Nongenic Sequences and Ultraconserved Elements
EJ Gardiner, L Hirons, CA Hunter, P Willett
Journal of Chemical Information and Modeling
(2006)
46
Applications of the CSA-amplified PASS experiment
RM Orr, MJ Duer
Solid State Nucl Magn Reson
(2006)
30
Novel anti-Markovnikov regioselectivity in the Wacker reaction of styrenes.
JA Wright, MJ Gaunt, JB Spencer
Chemistry (Weinheim an der Bergstrasse, Germany)
(2006)
12
Modeling and simulations of a bacterial outer membrane protein: OprF from Pseudomonas aeruginosa
S Khalid, PJ Bond, SS Deol, MSP Sansom
Proteins: Structure, Function, and Bioinformatics
(2006)
63
Comparison of COSPEC and two miniature ultraviolet spectrometer systems for SO2 measurements using scattered sunlight
T Elias, AJ Sutton, C Oppenheimer, KA Horton, H Garbeil, V Tsanev, AJS McGonigle, G Williams-Jones
Bulletin of Volcanology
(2006)
68
Building structure-property predictive models using data assimilation
HY Mussa, DJ Lary, RC Glen
Lecture Notes in Computer Science
(2006)
4216
Dipolar Fluctuations in the Bulk and at Interfaces
V Ballenegger, R Blaak, J-P Hansen
Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology, Vol 2
(2006)
704
Single scan TROSY and E.COSY suite of experiments for the measurement of residual dipolar couplings in proteins
T Eliseo, M Gallo, R Melis, M Paci, R Bazzo, DO Cicero
Spectroscopy
(2006)
20
Potential Energy and Free Energy Landscapes.
DJ Wales, TV Bogdan
J. Phys. Chem. B
(2006)
110
On the application of computer simulation techniques to anionic and cationic clays: A materials chemistry perspective
HC Greenwell, W Jones, PV Coveney, S Stackhouse
Journal of Materials Chemistry
(2006)
16
Waste-recycling Monte Carlo
D Frenkel
Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology, Vol 1
(2006)
703