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  • Currently displaying 19101 - 19120 of 29948 publications
Author(s)
Publication title
Journal Name
Publication year
Multicomponent polymer brushes.
F Zhou, Z Zheng, B Yu, W Liu, WTS Huck
J Am Chem Soc
(2006)
128
Probing the Responsive Behavior of Polyelectrolyte Brushes Using Electrochemical Impedance Spectroscopy
F Zhou, H Hu, B Yu, VL Osborne, WTS Huck, W Liu
Analytical Chemistry
(2006)
79
Random forest models to predict aqueous solubility.
DS Palmer, NM O'Boyle, RC Glen, JBO Mitchell
Journal of Chemical Information and Modeling
(2006)
47
Monte Carlo Study of Substrate-Induced Folding and Refolding of Lattice Proteins
I Coluzza, D Frenkel
Biophysical journal
(2006)
92
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
Computer simulations of long-time tails: What's new?
MA van der Hoef, D Frenkel
Transport Theory and Statistical Physics
(2006)
24
In silico target fishing: Predicting biological targets from chemical structure
JL Jenkins, A Bender, JW Davies
Drug Discovery Today: Technologies
(2006)
3
Molecular dynamics in a grid computing environment: experiences using DL_POLY_3 within the eMinerals 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
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
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
Defect states in amorphous silicon
SR Elliott
Philosophical Magazine B
(2006)
38
Using DL_POLY to study the sensitivity of liquid structure to potential parameters
RM Lynden-Bell, TGA Youngs
Molecular Simulation
(2006)
32
Individually adaptable automatic QT detector
YC Chesnokov, D Nerukh, RC Glen
Computers in Cardiology
(2006)
33
Photo-induced changes in glow-discharge-deposited amorphous silicon: The Staebler-Wronski effect
SR Elliott
Philosophical Magazine B
(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 Transactions on Medical Imaging
(2006)
25
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
An effective two-component description of colloid-polymer phase separation
A Pelissetto, J-P Hansen
Macromolecules
(2006)
39
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: Crystallographic Communications
(2006)
62
Many-electron self-interaction error in approximate density functionals.
P Mori-Sánchez, AJ Cohen, W Yang
The Journal of Chemical Physics
(2006)
125