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  • Currently displaying 21921 - 21940 of 30663 publications
Author(s)
Publication title
Journal Name
Publication year
Determination of an ensemble of structures representing the denatured state of the bovine acyl-coenzyme a binding protein
K Lindorff-Larsen, S Kristjansdottir, K Teilum, W Fieber, CM Dobson, FM Poulsen, M Vendruscolo
J Am Chem Soc
(2004)
126
Direct measurement of three-body interactions amongst charged colloids
M Brunner, J Dobnikar, H-H von Grünberg, C Bechinger
Phys Rev Lett
(2004)
92
Cover Picture: Macromol. Theory Simul. 1/2004
MA Inda, D Frenkel
Macromolecular Theory and Simulations
(2004)
13
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
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
First-principles study ofH2Odiffusion on a metal surface: H2Oon Al{100}
A Michaelides, VA Ranea, PL de Andres, DA King
Physical Review B Condensed Matter and Materials Physics
(2004)
69
Melting of Polydisperse Hard Disks
S Pronk, D Frenkel
(2004)
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
J Immunol
(2004)
172
Collision energy dependence of the HD(ν′=2) product rotational distribution of the H+D2 reaction in the range 1.30–1.89 eV
F Ausfelder, AE Pomerantz, RN Zare, SC Althorpe, FJ Aoiz, L Banares, JF Castillo
The Journal of chemical physics
(2004)
120
Disagreement between theory and experiment in the simplest chemical reaction: Collision energy dependent rotational distributions for H+D-2 -> HD(nu(')=3,j('))+D
AE Pomerantz, F Ausfelder, 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
The Journal of Physical Chemistry B
(2004)
108
Electronic structure of a stepped semiconductor surface: Density functional theory of Si(114)-(2x1)
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
(2004)
Phase behavior and selectivity of DNA-linked nanoparticle assemblies
DB Lukatsky, D Frenkel
Physical review letters
(2004)
92
Surface infra-red emission during alkali-metal incorporation at an oxide surface
Y-C Hou, SJ Jenkins, DA King
Surface Science
(2004)
550
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 Transactions
(2004)
4
Accurate determinations of the extent to which the SE2' reactions of allyl-, allenyl- and propargylsilanes are stereospecifically anti.
MJC Buckle, I Fleming, S Gil, KLC Pang
Organic & Biomolecular Chemistry
(2004)
2
Numerical prediction of absolute crystallization rates in hard-sphere colloids.
S Auer, D Frenkel
Journal of Chemical Physics
(2004)
120
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
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