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  • Currently displaying 21181 - 21200 of 31174 publications
Author(s)
Publication title
Journal Name
Publication year
Kinetic analysis of discrete path sampling stationary point databases.
SA Trygubenko, DJ Wales
Mol. Phys.
(2006)
104
Global Potential Energy Minima of C 6 0(H 2O) n Clusters.
J Hernández-Rojas, J Breton, JMG Llorente, DJ Wales
J. Phys. Chem. B
(2006)
110
Potential Energy and Free Energy Landscapes.
DJ Wales, TV Bogdan
J. Phys. Chem. B
(2006)
110
Synthesis of monolithic silica materials with meso macro-porous double-pore structure
H Yang, J Li, Q Chen, L Song, J Lu
Kuei Suan Jen Hsueh Pao Journal of the Chinese Ceramic Society
(2006)
34
Correlation effects and super-Arrhenius diffusion in binary Lennard- Jones mixtures (12 pages).
VK de Souza, DJ Wales
Phys. Rev. Lett.
(2006)
96
Thermodynamics of water octamer in a uniform electric field (5 pages).
J Hernández-Rojas, BS Gonzalez, T James, DJ Wales
J. Chem. Phys.
(2006)
125
Diastereoselective aldol reactions with butane-2,3-diacetal protected glyceraldehyde derivatives (vol 4, pg 1471, 2006)
KR Knudsen, AF Stepan, P Michel, SV Ley
ORGANIC & BIOMOLECULAR CHEMISTRY
(2006)
4
Complex Folding Kinetics of a Multidomain Protein
S Batey, KA Scott, J Clarke
Biophysical Journal
(2005)
90
Solution structure of the C4 zinc finger domain of HDM2.
GW Yu, MD Allen, A Andreeva, AR Fersht, M Bycroft
Protein Sci
(2005)
15
Electrostatic orientation of enzymes on surfaces for ligand screening probed by force spectroscopy.
X Wang, D Zhou, K Sinniah, C Clarke, L Birch, H Li, T Rayment, C Abell
Langmuir
(2005)
22
Theory of time-dependent reactive scattering: Cumulative time-evolving differential cross sections and nearside-farside analyses of time-dependent scattering amplitudes for the H+D2→HD+D reaction
PDD Monks, JNL Connor, SC Althorpe
J Phys Chem A
(2005)
110
Stabilizing CO on Au with NO2: electronegative species as promoters on coinage metals?
T Zhang, Z-P Liu, SM Driver, SJ Pratt, SJ Jenkins, DA King
Physical review letters
(2005)
95
Permeability of a Seemingly Nonporous Crystal Formed by a Discrete Metallocyclic Complex
L Dobrzańska, GO Lloyd, HG Raubenheimer, LJ Barbour
Journal of the American Chemical Society
(2005)
128
The transition state for folding of a peripheral subunit-binding domain contains robust and ionic-strength dependent characteristics.
N Ferguson, TD Sharpe, CM Johnson, AR Fersht
Journal of molecular biology
(2005)
356
Determination of an ensemble of structures representing the intermediate state of the bacterial immunity protein Im7
J Gsponer, H Hopearuoho, SB-M Whittaker, GR Spence, GR Moore, E Paci, SE Radford, M Vendruscolo
Proceedings of the National Academy of Sciences
(2005)
103
Structure of the regulatory apparatus of a calcium-dependent protein kinase (CDPK): a novel mode of calmodulin-target recognition.
V Chandran, EJ Stollar, K Lindorff-Larsen, JF Harper, WJ Chazin, CM Dobson, BF Luisi, J Christodoulou
Journal of Molecular Biology
(2005)
357
X-ray diffraction and solid-state NMR studies of a germanium binuclear complex
L Mafra, FAA Paz, F-N Shi, J Rocha, T Trindade, C Fernandez, A Makal, K Wozniak, J Klinowski
Chemistry (Weinheim an der Bergstrasse, Germany)
(2005)
12
Global optimization and folding pathways of selected alpha-helical proteins.
JM Carr, DJ Wales
The Journal of Chemical Physics
(2005)
123
A comprehensive evaluation of water uptake on atmospherically relevant mineral surfaces: DRIFT spectroscopy, thermogravimetric analysis and aerosol growth measurements
RJ Gustafsson, A Orlov, CL Badger, PT Griffiths, RA Cox, RM Lambert
Atmospheric Chemistry and Physics
(2005)
5
Synthesis and utilization of functionalized polystyrene resins
GL Thomas, C Böhner, M Ladlow, DR Spring
Tetrahedron
(2005)
61