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  • Currently displaying 21921 - 21940 of 31174 publications
Author(s)
Publication title
Journal Name
Publication year
Fragment-based lead discovery using X-ray crystallography.
MJ Hartshorn, CW Murray, A Cleasby, M Frederickson, IJ Tickle, H Jhoti
Journal of medicinal chemistry
(2004)
48
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
J Biol Chem
(2004)
280
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
Dipotassium hexakis({2,2′-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}nickel(II)) tetracyanonickelate(II) methanol hexasolvate dihydrate
S Skovsgaard, AD Bond, CJ McKenzie
Acta Crystallographica Section E: Crystallographic Communications
(2004)
61
Archetypal energy landscapes: Dynamical diagnosis
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
Chemical space and biology
CM Dobson
Nature
(2004)
432
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
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
A low cost instrument based on a solid state sensor for balloon-borne atmospheric O-3 profile sounding
GM Hansford, RA Freshwater, RA Bosch, RA Cox, RL Jones, KFE Pratt, DE Williams
Journal of environmental monitoring : JEM
(2004)
7
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
Line strengths and transition dipole moment of the nu2 fundamental band of the methyl radical.
GD Stancu, J Röpcke, PB Davies
The Journal of chemical physics
(2004)
122
The energy landscape as a unifying theme in molecular science.
DJ Wales
Philos Trans A Math Phys Eng Sci
(2004)
363
Resolution of (S,S)-4-(2,2,4-trimethyl-chroman-4-yl)phenyl camphanate and its 4-chromanyl epimer by crystallization
C Esterhuysen, MW Bredenkamp, GO Lloyd
Acta Crystallographica Section C: Structural Chemistry
(2004)
61
Speed-up of Monte Carlo simulations by sampling of rejected states.
D Frenkel
Proceedings of the National Academy of Sciences
(2004)
101
The molecular physics lecture 2004: (i) Density functional theory, (ii) Quantum Monte Carlo
NC Handy
Molecular Physics
(2004)
102
Scientific biography
NC Handy
Molecular Physics
(2004)
102
The hydrophobic effect as a driving force in the self-assembly of a [2 x 2] copper(I) grid.
JR Nitschke, M Hutin, G Bernardinelli
Angew Chem Int Ed Engl
(2004)
43
The Hydrophobic Effect as a Driving Force in the Self‐Assembly of a [2×2] Copper(I) Grid
JR Nitschke, M Hutin, G Bernardinelli
Angewandte Chemie
(2004)
116
Reactions of Potent Antitumor Complextrans-[RuIIICl4(indazole)2]-with a DNA-Relevant Nucleobase and Thioethers:  Insight into Biological Action
A Egger, VB Arion, E Reisner, B Cebrián-Losantos, S Shova, G Trettenhahn, BK Keppler
Inorganic Chemistry
(2004)
44