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  • Currently displaying 20501 - 20520 of 29659 publications
Author(s)
Publication title
Journal Name
Publication year
Exploring the temperature–pressure configurational landscape of biomolecules: from lipid membranes to proteins
R Winter, W Dzwolak
Philos Trans A Math Phys Eng Sci
(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
The Journal of chemical physics
(2004)
121
Fragment-based lead discovery using X-ray crystallography
MJ Hartshorn, CW Murray, A Cleasby, M Frederickson, IJ Tickle, H Jhoti
J Med Chem
(2004)
48
Mapping long-range interactions in alpha-synuclein using spin-label NMR and ensemble molecular dynamics simulations.
MM Dedmon, K Lindorff-Larsen, J Christodoulou, M Vendruscolo, CM Dobson
J Am Chem Soc
(2004)
127
Identification of novel p38alpha 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
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 b 562
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
J Mol Biol
(2004)
346
Biophysical Investigations of Engineered Polyproteins: Implications for Force Data
RWS Rounsevell, A Steward, J Clarke
Biophysical journal
(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-diylbis(nitrilomethylidyne)]diphenolatol nickel(II)) tetracyanonickelate(II) methanol hexasolvate dihydrate
S Skovsgaard, AD Bond, CJ McKenzie
Acta Crystallographica Section E Structure Reports Online
(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
The Journal of biological chemistry
(2004)
280
The influence of temperature and density functional models in ab initio molecular dynamics simulation of liquid water - art. no. 014515
J VandeVondele, F Mohamed, M Krack, J Hutter, M Sprik, M Parrinello
The Journal of Chemical Physics
(2004)
122
Chemical space and biology
CM Dobson
Nature
(2004)
432
A low cost instrument based on a solid state sensor for balloon-borne atmospheric O3 profile sounding
GM Hansford, RA Freshwater, RA Bosch, RA Cox, RL Jones, KFE Pratt, DE Williams
J Environ Monit
(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. Series A, Mathematical, physical, and engineering sciences
(2004)
363
Line strengths and transition dipole moment of the ν2 fundamental band of the methyl radical
GD Stancu, J Röpcke, PB Davies
Journal of Chemical Physics
(2004)
122