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  • Currently displaying 22401 - 22420 of 31138 publications
Author(s)
Publication title
Journal Name
Publication year
Melting of Polydisperse Hard Disks
S Pronk, D Frenkel
(2004)
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
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
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
The Journal of Physical Chemistry B
(2004)
108
Inhibition of protein crystallization by evolutionary negative design.
JPK Doye, AA Louis, M Vendruscolo
Physical biology
(2004)
1
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)
Surface infra-red emission during alkali-metal incorporation at an oxide surface
Y-C Hou, SJ Jenkins, DA King
Surface Science
(2004)
550
Phase Behavior and Selectivity of DNA-Linked Nanoparticle Assemblies
DB Lukatsky, D Frenkel
Physical review letters
(2004)
92
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 Transactions
(2004)
4
Numerical prediction of absolute crystallization rates in hard-sphere colloids
S Auer, D Frenkel
The Journal of chemical physics
(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
J Mol Biol
(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
J Mol Biol
(2004)
336
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
A molecular dynamics analysis of protein structural elements
CB Post, CM Dobson, M Karplus
Proteins
(2004)
5
Hydrogen exchange in native and denatured states of hen egg-white lysozyme.
SE Radford, M Buck, KD Topping, CM Dobson, PA Evans
Proteins
(2004)
14
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 concise synthesis of the octalactins
PT O'Sullivan, W Buhr, MAM Fuhry, JR Harrison, JE Davies, N Feeder, DR Marshall, JW Burton, AB Holmes
J Am Chem Soc
(2004)
126