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  • Currently displaying 19061 - 19080 of 30626 publications
Author(s)
Publication title
Journal Name
Publication year
Relaxation of caloric curves on complex potential energy surfaces (10 pages).
F Calvo, DJ Wales
J. Chem. Phys.
(2008)
128
Implicit solvent models and the energy landscape for aggregation of the amyloidogenic KFFE peptide
B Strodel, DJ Wales
J. Chem. Theor. Comput.
(2008)
4
Pathways for Conformational Change in Nitrogen Regulatory Protein C from Discrete Path Sampling.
M Khalili, DJ Wales
J. Phys. Chem. B
(2008)
112
Protein structure prediction using basin-hopping (9 pages).
MC Prentiss, DJ Wales, PG Wolynes
J. Chem. Phys.
(2008)
128
Structural trends in clusters of quadrupolar spheres.
M Miller, J Shepherd, D Wales
Mol. Phys.
(2008)
106
The CO2 inhibition of terrestrial isoprene emission significantly affects future ozone projections
PJ Young, A Arneth, G Schurgers, G Zeng, JA Pyle
Atmospheric Chemistry and Physics Discussions
(2008)
8
(S)-5-Pyrrolidin-2-yl-1H-tetrazole
V Aureggi, V Franckeviius, MO Kitching, SV Ley, DA Longbottom, AJ Oelke, G Sedelmeier, SE Denmark, RC Smith
Organic Syntheses
(2008)
85
Probing solids through THz spectroscopy: Differentiation of chiral and racemic forms of isostructural and non-isostructural cocrystals
EPJ Parrott, JA Zeitler, T Friščić, M Pepper, W Jones, GM Day, LF Gladden
2008 33rd International Conference on Infrared, Millimeter and Terahertz Waves
(2008)
Modelling the effect of hydrogen positions on the lattice dynamics calculations of terahertz spectra of benzoic acid
R Li, GM Day, EPJ Parrott, JA Zeitler, LF Gladden
2008 33RD INTERNATIONAL CONFERENCE ON INFRARED, MILLIMETER AND TERAHERTZ WAVES, VOLS 1 AND 2
(2008)
442
Ab-initio Molecular Dynamics Simulations of Molten Ni-Based Superalloys
C Woodward, DR Trinkle, M Asta, J Lill, S Angioletti-Uberti
2008 Proceedings of the Department of Defense High Performance Computing Modernization Program Users Group Conference Solving the Hard Problems
(2008)
47
Lagrangian analysis of low level anthropogenic plume processing across the North Atlantic
E Real, K Law, H Schlager, A Roiger, H Huntrieser, J Methven, M Cain, J Holloway, JA Neuman, T Ryerson, F Flocke, J De Gouw, E Atlas, S Donnelly, D Parrish
Atmospheric Chemistry and Physics Discussions
(2008)
8
Evaluation of the new UKCA climate-composition model - Part I: The stratosphere
O Morgenstern, P Braesicke, FM O'Connor, AC Bushell, CE Johnson, SM Osprey, JA Pyle
GEOSCI MODEL DEV
(2008)
1
Functionalised amyloid fibrils for roles in cell adhesion
SL Gras, AK Tickler, AM Squires, GL Devlin, MA Horton, CM Dobson, CE MacPhee
Biomaterials
(2007)
29
Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator
M Frederickson, O Callaghan, G Chessari, M Congreve, SR Cowan, JE Matthews, R McMenamin, D-M Smith, M Vinković, NG Wallis
Journal of Medicinal Chemistry
(2007)
51
3-methyl-1,2,3-butanetricarboxylic acid: An atmospheric tracer for terpene secondary organic aerosol
R Szmigielski, JD Surratt, Y Gómez‐González, P Van der Veken, I Kourtchev, R Vermeylen, F Blockhuys, M Jaoui, TE Kleindienst, M Lewandowski, JH Offenberg, EO Edney, JH Seinfeld, W Maenhaut, M Claeys
Geophysical Research Letters
(2007)
34
Fast multi-dimensional NMR by minimal sampling
E Kupce, R Freeman
Journal of Magnetic Resonance
(2007)
191
Cavity ring-down spectroscopy of jet-cooled silane isotopologues in the Si-H stretch overtone region
R Bisson, TT Dang, M Sacchi, RD Beck
The Journal of Chemical Physics
(2007)
127
The flavodoxin from Helicobacter pylori: structural determinants of thermostability and FMN cofactor binding.
N Cremades, A Velazquez-Campoy, E Freire, J Sancho
Biochemistry
(2007)
47
Role of intermolecular forces in defining material properties of protein nanofibrils.
TP Knowles, AW Fitzpatrick, S Meehan, HR Mott, M Vendruscolo, CM Dobson, ME Welland
Science (New York, N.Y.)
(2007)
318
A sequence-independent study of the influence of short loop lengths on the stability and topology of intramolecular DNA G-quadruplexes
A Bugaut, S Balasubramanian
Biochemistry
(2007)
47