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  • Currently displaying 20121 - 20140 of 29280 publications
Author(s)
Publication title
Journal Name
Publication year
Towards complete descriptions of the freeenergy landscapes of proteins
M Vendruscolo, CM Dobson
Philos Trans A Math Phys Eng Sci
(2004)
363
Exploring the temperaturepressure configurational landscape of biomolecules: from lipid membranes to proteins
R Winter, W Dzwolak
Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences
(2004)
363
Lowest-energy structures of (C60)nX (X=Li+,Na+,K+,Cl−) and (C60)nYCl (Y=Li,Na,K) clusters for n⩽13
J Hernández-Rojas, J Bretón, JM Gomez Llorente, DJ Wales
Journal of Chemical Physics
(2004)
121
Identification of Novel p38α MAP Kinase Inhibitors Using Fragment-Based Lead Generation
AL Gill, M Frederickson, A Cleasby, SJ Woodhead, MG Carr, AJ Woodhead, MT Walker, MS Congreve, LA Devine, D Tisi, M O'Reilly, LCA Seavers, DJ Davis, J Curry, R Anthony, A Padova, CW Murray, RAE Carr, H Jhoti
Journal of Medicinal Chemistry
(2004)
48
Mapping Long-Range Interactions in α-Synuclein using Spin-Label NMR and Ensemble Molecular Dynamics Simulations
MM Dedmon, K Lindorff-Larsen, J Christodoulou, M Vendruscolo, CM Dobson
Journal of the American Chemical Society
(2004)
127
Fragment-based lead discovery using X-ray crystallography
MJ Hartshorn, CW Murray, A Cleasby, M Frederickson, IJ Tickle, H Jhoti
Journal of Medicinal Chemistry
(2004)
48
Quantifying the complexity of chaos in multibasin multidimensional dynamics of molecular systems
D Nerukh, G Karvounis, RC Glen
Complexity
(2004)
10
Effects of heme on the structure of the denatured state and folding kinetics of cytochrome b562
P Garcia, M Bruix, M Rico, S Ciofi-Baffoni, L Banci, MC Ramachandra Shastry, H Roder, T de Lumley Woodyear, CM Johnson, AR Fersht, PD Barker
Journal of Molecular Biology
(2004)
346
Biophysical Investigations of Engineered Polyproteins: Implications for Force Data
RWS Rounsevell, A Steward, J Clarke
Biophys J
(2004)
88
Yttrium Aluminum Garnet (YAG) Films through a Precursor Plasma Spraying Technique
SD Parukuttyamma, J Margolis, H Liu, CP Grey, S Sampath, H Herman, JB Parise
Journal of the American Ceramic Society
(2004)
84
Binding of Rad51 and Other Peptide Sequences to a Promiscuous, Highly Electrostatic Binding Site in p53
A Friedler, DB Veprintsev, T Rutherford, KI von Glos, AR Fersht
Journal of Biological Chemistry
(2004)
280
Dipotassium hexakis({2,2′-[ethane-1,2-diyl-bis(nitrilomethylidyne)]diphenolato} nickel(II)) tetracyanonickelate(II) methanol hexasolvate dihydrate
S Skovsgaard, AD Bond, CJ McKenzie
Acta Crystallographica Section E: Crystallographic Communications
(2004)
61
Archetypal energy landscapes: Dynamical diagnosis - art. no. 024103
F Despa, DJ Wales, RS Berry
The Journal of Chemical Physics
(2004)
122
Investigating the Effects of Mutations on Protein Aggregation in the Cell
G Calloni, S Zoffoli, M Stefani, CM Dobson, F Chiti
Journal of Biological Chemistry
(2004)
280
Chemical space and biology.
CM Dobson
Nature
(2004)
432
The influence of temperature and density functional models in ab initio molecular dynamics simulation of liquid water
J VandeVondele, F Mohamed, M Krack, J Hutter, M Sprik, M Parrinello
Journal of Chemical Physics
(2004)
122
A low cost instrument based on a solid state sensor for balloon-borne atmospheric O(3) profile sounding.
GM Hansford, RA Freshwater, RA Bosch, RA Cox, RL Jones, KFE Pratt, DE Williams
Journal of environmental monitoring : JEM
(2004)
7
Density functional calculation of the electronic absorption spectrum of Cu+ and Ag+ aqua ions
L Bernasconi, J Blumberger, M Sprik, R Vuilleumier
The Journal of chemical physics
(2004)
121
Synthesis and Structure Determination of a New Organically Templated Scandium Fluorophosphate Framework and Its Indium Analogue
H Park, I Bull, L Peng, VG Young, CP Grey, JB Parise
Chemistry of Materials
(2004)
16
The energy landscape as a unifying theme in molecular science
DJ Wales
Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences
(2004)
363