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  • Currently displaying 19101 - 19120 of 30236 publications
Author(s)
Publication title
Journal Name
Publication year
Why do ultrasoft repulsive particles cluster and crystallize? Analytical results from density-functional theory.
CN Likos, BM Mladek, D Gottwald, G Kahl
Journal of Chemical Physics
(2007)
126
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 N-15, C-13(alpha) and C-13-methyl relaxation dispersion and H-1/(2) H-exchange NMR Spectroscopy
DM Korzhnev, TL Religa, P Lundström, AR Fersht, LE Kay
Journal of Molecular Biology
(2007)
372
Hydrogen-bonded cubanes and ladder fragments by analogy with the inorganic solid state.
AD Bond, WH Jørgensen, JM Pløger
Chem Commun (Camb)
(2007)
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
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 : EBJ
(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 of the United States of America
(2007)
104
Evaluation of ⟨S2⟩ in density functional theory
AJ Cohen, DJ Tozer, NC Handy
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
The Journal of Physical Chemistry C
(2007)
111
OmpA: gating and dynamics via molecular dynamics simulations.
S Khalid, PJ Bond, T Carpenter, MSP Sansom
Biochim Biophys 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
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
Synthesis and catalytic properties in olefin epoxidation of dioxomolybdenurn(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
Journal of Molecular Catalysis A Chemical
(2007)
270
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
2007 3RD INTERNATIONAL CONFERENCE ON RECENT ADVANCES IN SPACE TECHNOLOGIES, VOLS 1 AND 2
(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