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  • Currently displaying 19161 - 19180 of 30304 publications
Author(s)
Publication title
Journal Name
Publication year
Experiments suggest that simulations may overestimate electrostatic contributions to the mechanical stability of a fibronectin type III domain
SP Ng, J Clarke
Journal of molecular biology
(2007)
371
The folding pathway of an FF domain:: Characterization of an on-pathway intermediate state under folding conditions by 15N, 13Cα and 13C-methyl relaxation dispersion and 1H/2 H-exchange NMR Spectroscopy
DM Korzhnev, TL Religa, P Lundström, AR Fersht, LE Kay
J Mol Biol
(2007)
372
Explanation for the apparent absence of collapse of polyelectrolyte brushes in the presence of bulky ions.
SE Moya, O Azzaroni, T Kelby, E Donath, WTS Huck
The Journal of Physical Chemistry B
(2007)
111
Hydrogen-bonded cubanes and ladder fragments by analogy with the inorganic solid state.
AD Bond, WH Jørgensen, JM Pløger
Chemical Communications
(2007)
Single molecule pulling with large time steps
H Oberhofer, C Dellago, S Boresch
Physical Review E Statistical Nonlinear and Soft Matter Physics
(2007)
75
Outer membrane proteins: comparing X-ray and NMR structures by MD simulations in lipid bilayers
K Cox, PJ Bond, A Grottesi, M Baaden, MSP Sansom
European Biophysics Journal
(2007)
37
Protein structure determination from NMR chemical shifts
A Cavalli, X Salvatella, CM Dobson, M Vendruscolo
Proceedings of the National Academy of Sciences
(2007)
104
Designing an extracellular matrix protein with enhanced mechanical stability.
SP Ng, KS Billings, T Ohashi, MD Allen, RB Best, LG Randles, HP Erickson, J Clarke
Proceedings of the National Academy of Sciences
(2007)
104
Evaluation of < S-2 > in density functional theory
AJ Cohen, DJ Tozer, NC Handy
The Journal of chemical physics
(2007)
126
Structural surface investigations of cerium-zirconium mixed oxide nanocrystals with enhanced reducibility
JC Hernandez, AB Hungria, JA Perez-Omil, S Trasobares, S Bernal, PA Midgley, A Alavi, JJ Calvino
Journal of Physical Chemistry C
(2007)
111
OmpA: gating and dynamics via molecular dynamics simulations.
S Khalid, PJ Bond, T Carpenter, MSP Sansom
Biochimica et biophysica acta
(2007)
1778
Structural control of dithiazolyl radicals: Case studies on 3 '- and 4 '-cyano-benzo-1,3,2-dithiazolyl, NCC6H3S2N
A Alberola, J Burley, RJ Collis, RJ Less, JM Rawson
Journal of Organometallic Chemistry
(2007)
692
Synthesis and catalytic properties in olefin epoxidation of dioxomolybdenum(vi) complexes bearing a bidentate or tetradentate salen-type ligand
SM Bruno, SS Balula, AA Valente, FAA Paz, M Pillinger, C Sousa, J Klinowski, C Freire, P Ribeiro-Claro, IS Gonçalves
Molecular Catalysis
(2007)
270
Cyclophosphazenes tethered together via N-ring centres with ortho-, meta- and para-xylylene linkers
MA Benson, R Boomishankar, DS Wright, A Steiner
Journal of Organometallic Chemistry
(2007)
692
New synthetic pathways into dithiazolyl radicals: Preparation and characterisation of 3′-methyl-benzo-1,3,2-dithiazolyl, M’BDTA
A Alberola, RJ Collis, RJ Less, JM Rawson
Journal of Organometallic Chemistry
(2007)
692
Comparison between reflectance/emittance spectra of iron-containing minerals
D Borisoval, H Nikolov, M Danov, V Tsanev
Proceedings of the 3rd International Conference on Recent Advances in Space Technologies Rast 2007
(2007)
4
Pattern formation during the oxidation of CO on Pt{100}: A mesoscopic model
RB Hoyle, AT Anghel, MRE Proctor, DA King
Physical Review Letters
(2007)
98
Analysis of Pharmacology Data and the Prediction of Adverse Drug Reactions and Off‐Target Effects from Chemical Structure
A Bender, J Scheiber, M Glick, JW Davies, K Azzaoui, J Hamon, L Urban, S Whitebread, JL Jenkins
ChemMedChem
(2007)
2
Modeling promiscuity based on in vitro safety pharmacology profiling data
K Azzaoui, J Hamon, B Faller, S Whitebread, E Jacoby, A Bender, JL Jenkins, L Urban
Chemmedchem
(2007)
2
Pharmaceutical Strategy and Innovation: An Academics Perspective
IR Baxendale, JJ Hayward, SV Ley, GK Tranmer
Chemmedchem
(2007)
2