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  • Currently displaying 21381 - 21400 of 30113 publications
Author(s)
Publication title
Journal Name
Publication year
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
Disagreement between theory and experiment in the simplest chemical reaction: Collision energy dependent rotational distributions for H+D2→HD(ν′=3,j′)+D
AE Pomerantz, F Ausfelder, RN Zare, SC Althorpe, FJ Aoiz, L Banares, JF Castillo
The 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
Journal of Chemical Physics
(2004)
120
Free energy and structure of dislocation cores in two-dimensional crystals
PB Bladon, D Frenkel
Journal of Physical Chemistry B
(2004)
108
Electronic structure of a stepped semiconductor surface: Density functional theory ofSi(114)−(2×1)
RD Smardon, GP Srivastava, SJ Jenkins
Physical Review B
(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 (Cambridge, England : 2003)
(2004)
4
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
Numerical prediction of absolute crystallization rates in hard-sphere colloids.
S Auer, D Frenkel
The 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
Synthesis, characterization and crystal structure of a novel europium(III) supramolecular compound: {[Eu(CH3OH)(6)(H2O)(2)] [PMo12O40]}center dot (C14H20O5)(2)center dot(CH3OH)(2)center dot(CH3CN)(2)
FL Sousa, FAA Paz, PCR Soares-Santos, AMV Cavaleiro, HIS Nogueira, J Klinowski, T Trindade
Journal of Molecular Structure
(2004)
689
Hydrophobic clustering in nonnative states of a protein: Interpretation of chemical shifts in NMR spectra of denatured states of lysozyme
PA Evans, KD Topping, DN Woolfson, CM Dobson
Proteins Structure Function and Bioinformatics
(2004)
9
A molecular dynamics analysis of protein structural elements.
CB Post, CM Dobson, M Karplus
Proteins
(2004)
5
Relaxation data in NMR structure determination: Model calculations for the lysozyme–Gd3+ complex
MJ Sutcliffe, CM Dobson
Proteins Structure Function and Bioinformatics
(2004)
10
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
Large effect of polydispersity on defect concentrations in colloidal crystals
S Pronk, D Frenkel
(2004)