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  • Currently displaying 20641 - 20660 of 29308 publications
Author(s)
Publication title
Journal Name
Publication year
First-principles study of H2O diffusion on a metal surface: H2O on Al(100)
A Michaelides, VA Ranea, PL de Andres, DA King
Physical Review B
(2004)
69
5-Pyrrolidin-2-yltetrazole: A New, Catalytic, More Soluble Alternative to ­Proline in an Organocatalytic Asymmetric Mannich-type Reaction
AJA Cobb, DM Shaw, SV Ley
Synlett
(2004)
2004
Templated ligand assembly by using G-quadruplex DNA and dynamic covalent chemistry
AM Whitney, S Ladame, S Balasubramanian
Angew Chem Int Ed Engl
(2004)
43
The crystal structure of human CD1b with a bound bacterial glycolipid.
T Batuwangala, D Shepherd, SD Gadola, KJC Gibson, NR Zaccai, AR Fersht, GS Besra, V Cerundolo, EY Jones
The Journal of Immunology
(2004)
172
Disagreement between theory and experiment in the simplest chemical reaction: Collision energy dependent rotational distributions for H+D 2→HD(v′ = 3,J′) + D
AE Pomerantz, F Ausfelder, RN Zare, SC Althorpe, FJ Aoiz, L Banares, JF Castillo
Journal of Chemical Physics
(2004)
120
Collision energy dependence of the HD(v′ = 2) product rotational distribution of the H+D 2 reaction in the range 1.30-1.89 eV
F Ausfelder, AE Pomerantz, RN Zare, SC Althorpe, FJ Aoiz, L Banares, JF Castillo
J Chem Phys
(2004)
120
Free Energy and Structure of Dislocation Cores in Two-Dimensional Crystals †
PB Bladon, D Frenkel
Journal of Physical Chemistry B
(2004)
108
Inhibition of protein crystallization by evolutionary negative design.
JPK Doye, AA Louis, M Vendruscolo
Phys Biol
(2004)
1
Electronic structure of a stepped semiconductor surface: Density functional theory ofSi(114)−(2×1)
RD Smardon, GP Srivastava, SJ Jenkins
Physical Review B Condensed Matter and Materials Physics
(2004)
69
Phase Behavior and Selectivity of DNA-Linked Nanoparticle Assemblies
DB Lukatsky, D Frenkel
Physical review letters
(2004)
92
Surface infra-red emission during alkaki-metal incorporation at an oxide surface
Y-C Hou, SJ Jenkins, DA King
Surface Science
(2004)
550
Accurate determinations of the extent to which the S(E)2 ' reactions of allyl-, allenyl- and propargylsilanes are stereospecifically anti
MJC Buckle, I Fleming, S Gil, KLC Pang
Organic & biomolecular chemistry
(2004)
2
Steric control in the oligomerisation of phosphazane dimers; towards new phosphorus–nitrogen macrocycles
EL Doyle, F García, SM Humphrey, RA Kowenicki, L Riera, AD Woods, DS Wright
Dalton Trans
(2004)
4
Numerical prediction of absolute crystallization rates in hard-sphere colloids
S Auer, D Frenkel
J Chem Phys
(2004)
120
Structural Distortion of p53 by the Mutation R249S and its Rescue by a Designed Peptide: Implications for “Mutant Conformation”
A Friedler, BS DeDecker, SMV Freund, C Blair, S Rüdiger, AR Fersht
Journal of Molecular Biology
(2004)
336
Binding of p53-derived ligands to MDM2 induces a variety of long range conformational changes.
O Schon, A Friedler, S Freund, AR Fersht
Journal of Molecular Biology
(2004)
336
RELAXATION DATA IN NMR STRUCTURE DETERMINATION - MODEL-CALCULATIONS FOR THE LYSOZYME-GD3+ COMPLEX
MJ Sutcliffe, CM Dobson
Proteins Structure Function and Bioinformatics
(2004)
10
A molecular dynamics analysis of protein structural elements.
CB Post, CM Dobson, M Karplus
Proteins Structure Function and Bioinformatics
(2004)
5
Synthesis, characterization and crystal structure of a novel europium(III) supramolecular compound: {[Eu(CH3OH)6(H2O)2] [PMo12O40]}· (C14H20O5)2·(CH3OH)2·(CH3CN)2
FL Sousa, FAA Paz, PCR Soares-Santos, AMV Cavaleiro, HIS Nogueira, J Klinowski, T Trindade
Journal of Molecular Structure
(2004)
689
Hydrogen exchange in native and denatured states of hen egg‐white lysozyme
SE Radford, M Buck, KD Topping, CM Dobson, PA Evans
Proteins Structure Function and Bioinformatics
(2004)
14