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  • Currently displaying 19061 - 19080 of 31130 publications
Author(s)
Publication title
Journal Name
Publication year
Free energies for biological electron transfer from QM/MM calculation: method, application and critical assessment.
J Blumberger
Physical Chemistry Chemical Physics
(2008)
10
A pulse--radiolysis approach to fast reductive cleavage of a disulfide bond to uncage enzyme activity.
L Milanesi, S Tomas, CA Hunter, JA Weinstein, R Edge, S Navaratnam, JP Waltho, J Best
Free Radical Biology and Medicine
(2008)
45
Intermolecular potentials
AJ Stone
Science
(2008)
321
Insights into Current Limitations of Density Functional Theory
AJ Cohen, P Mori-Sánchez, W Yang
Science (New York, N.Y.)
(2008)
321
Thickness-dependent properties of polyzwitterionic brushes
N Cheng, AA Brown, O Azzaroni, WTS Huck
Macromolecules
(2008)
41
Helicate extension as a route to molecular wires
D Schultz, F Biaso, ARM Shahi, M Geoffroy, K Rissanen, L Gagliardi, CJ Cramer, JR Nitschke
Chemistry
(2008)
14
Accurate gas-phase experimental structures of octasilsesquioxanes (Si8O12X8; X = H ,Me)
DA Wann, RJ Less, F Rataboul, PD McCaffrey, AM Reilly, HE Robertson, PD Lickiss, DWH Rankin
Organometallics
(2008)
27
UK NMR infrastructure
SP Brown, SE Ashbrook, MJ Duer, R Dupree, RK Harris, ME Smith, JJ Titman, S Wimperis
Chemistry World
(2008)
5
A versatile sample-environment cell for non-ambient X-ray scattering experiments
PJ Chupas, KW Chapman, C Kurtz, JC Hanson, PL Lee, CP Grey
Journal of Applied Crystallography
(2008)
41
Gradual transition from NH ••• pyridyl hydrogen bonding to the NH•••O tape synthon in pyridyl ureas
P Byrne, DR Turner, GO Lloyd, N Clarke, JW Steed
Crystal Growth & Design
(2008)
8
Enhancing Drug Discovery Through In Silico Screening: Strategies to Increase True Positives Retrieval Rates
J Kirchmair, S Distinto, D Schuster, G Spitzer, T Langer, G Wolber
Current medicinal chemistry
(2008)
15
Structure and microstructure of the high pressure synthesised misfit layer compound [Sr2O2][CrO2]1.85
E Castillo-Martínez, A Schönleber, S van Smaalen, AM Arévalo-López, MA Alario-Franco
Journal of Solid State Chemistry
(2008)
181
Life on the edge: The nature and origins of protein misfolding diseases
CM Dobson
J PEPT SCI
(2008)
14
A sequential assignment procedure for proteins that have intermediate line widths in MAS NMR spectra: amyloid fibrils of human CA150.WW2.
J Becker, N Ferguson, J Flinders, B-J van Rossum, AR Fersht, H Oschkinat
ChemBioChem
(2008)
9
Water, water everywhere?
A Michaelides
Chemistry World
(2008)
5
Dispersion of charged tracers in charged porous media
B Rotenberg, I Pagonabarraga, D Frenkel
Epl
(2008)
83
A solid-state hybrid density functional theory study of Prussian blue analogues and related chlorides at pressure
DS Middlemiss, LM Lawton, CC Wilson
Journal of Physics: Condensed Matter
(2008)
20
pK(a)-directed host-guest assemblies: rational analysis of molecular adducts of 2,4-diamino-6-methyl-1,3,5-triazine with various aliphatic dicarboxylic acids.
A Delori, E Suresh, VR Pedireddi
Chemistry
(2008)
14
Duality between random trap and barrier models
RL Jack, P Sollich
Journal of Physics A Mathematical and Theoretical
(2008)
41
Immunological features of α‐synuclein in Parkinson's disease
C Roodveldt, J Christodoulou, CM Dobson
Journal of cellular and molecular medicine
(2008)
12