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  • Currently displaying 19021 - 19040 of 29659 publications
Author(s)
Publication title
Journal Name
Publication year
Preparation and olefin-metathesis activity of cyclopentylidene-oxo initiator sites on a molybdenum carbide surface
M Siaj, I Temprano, N Dubuc, PH McBreen
Journal of Organometallic Chemistry
(2006)
691
In silico target fishing: Predicting biological targets from chemical structure
JL Jenkins, A Bender, JW Davies
Drug Discovery Today Technologies
(2006)
3
Luminescent PtII(bipyridyl)(diacetylide) chromophores with pendant binding sites as energy donors for sensitised near-infrared emission from lanthanides:: Structures and photophysics of PtII/LnIII assemblies
TK Ronson, T Lazarides, H Adams, SJA Pope, D Sykes, S Faulkner, SJ Coles, MB Hursthouse, W Clegg, RW Harrington, MD Ward
Chemistry - A European Journal
(2006)
12
Discussion
KJ LAIDLER, JB HASTED, G KARL, AR UBBELOHDE, KF HERZFELD, AB CALLEAR, JD LAMBERT, RGW NORRISH, WD DAVISON, J KECK, PG DICKENS, JP TOENNIES, AJ MATHESON, HJ BAUER, G SZASZ, EE NIKITIN, T CARRINGTON, TL COTTRELL, JC POLANYI, B BROCKLEHURST, IWM SMITH, B WIDOM
Novartis Foundation Symposium
(2006)
272
Defect states in amorphous silicon
SR Elliott
Philosophical Magazine B
(2006)
38
Molecular dynamics in a grid computing environment: experiences using DL_POLY_3 within theeMinerals escience project
MT Dove, LA Sullivan, AM Walker, RP Bruin, TOH White, K Trachenko, P Murray-Rust, IT Todorov, RP Tyer, PA Couch, KK van Dam, W Smith
Molecular Simulation
(2006)
32
Using DL_POLY to study the sensitivity of liquid structure to potential parameters
RM Lynden-Bell, TGA Youngs
Molecular Simulation
(2006)
32
Computer simulations of long-time tails: What's new?
MA van der Hoef, D Frenkel
Transport Theory and Statistical Physics
(2006)
24
Photo-induced changes in glow-discharge-deposited amorphous silicon: The Staebler-Wronski effect
SR Elliott
Philosophical Magazine B
(2006)
39
Monte Carlo Study of Substrate-Induced Folding and Refolding of Lattice Proteins
I Coluzza, D Frenkel
Biophysical Journal
(2006)
92
Individually adaptable automatic QT detector
YC Chesnokov, D Nerukh, RC Glen
Computers in Cardiology
(2006)
33
A one-pot synthesis of hybrid organo-layered double hydroxide catalyst precursors
HC Greenwell, W Jones, DN Stamires, P O'Connor, MF Brady
Green Chemistry
(2006)
8
An Effective Two-Component Description of Colloid−Polymer Phase Separation
A Pelissetto, J-P Hansen
Macromolecules
(2006)
39
Automatic quantification of changes in bone in serial MR images of joints
KK Leung, M Holden, N Saeed, KJ Brooks, JB Buckton, AA Williams, SP Campbell, K Changani, DG Reid, Y Zhao, M Wilde, D Rueckert, JV Hajnal, DLG Hill
IEEE Trans Med Imaging
(2006)
25
Aqua[bis(2-pyridylmethyl) amine][chelidonato(1.5-)]-copper(II) chelidonate(0.5-) monohydrate
M Fainerman-Melnikova, JK Clegg, R Codd
Acta Crystallographica Section E Structure Reports Online
(2006)
62
N-terminal truncation enables crystallization of the receptor-binding domain of the FedF bacterial adhesin.
M De Kerpel, I Van Molle, L Brys, L Wyns, H De Greve, J Bouckaert
Acta Crystallographica Section F Structural Biology and Crystallization Communications
(2006)
62
Normal and Aberrant Biological Self‐Assembly: Insights from Studies of Human Lysozyme and Its Amyloidogenic Variants
M Dumoulin, JR Kumita, CM Dobson
ChemInform
(2006)
37
Enantioselective organocatalysis
MJ Gaunt, CCC Johansson, A McNally, NT Vo
Drug Discov Today
(2006)
12
Apparent cooperativity in the folding of multidomain proteins depends on the relative rates of folding of the constituent domains.
S Batey, J Clarke
Proceedings of the National Academy of Sciences
(2006)
103
Many-electron self-interaction error in approximate density functionals.
P Mori-Sánchez, AJ Cohen, W Yang
The Journal of Chemical Physics
(2006)
125