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  • Currently displaying 19001 - 19020 of 29644 publications
Author(s)
Publication title
Journal Name
Publication year
In silico target fishing: Predicting biological targets from chemical structure
JL Jenkins, A Bender, JW Davies
Drug Discovery Today: Technologies
(2006)
3
Photo-induced changes in glow-discharge-deposited amorphous silicon: The Staebler-Wronski effect
SR Elliott
Philosophical Magazine B
(2006)
39
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 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
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
Individually adaptable automatic QT detector
YC Chesnokov, D Nerukh, RC Glen
Computers in Cardiology
(2006)
33
Using DL_POLY to study the sensitivity of liquid structure to potential parameters
RM Lynden-Bell, TGA Youngs
Molecular Simulation
(2006)
32
Monte Carlo study of substrate-induced folding and refolding of lattice proteins
I Coluzza, D Frenkel
Biophysical journal
(2006)
92
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
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
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
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
Enantioselective organocatalysis
MJ Gaunt, CCC Johansson, A McNally, NT Vo
Drug Discov Today
(2006)
12
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
Many-electron self-interaction error in approximate density functionals
P Mori-Sánchez, AJ Cohen, W Yang
J Chem Phys
(2006)
125
Apparent cooperativity in the folding of multidomain proteins depends on the relative rates of folding of the constituent domains.
S Batey, J Clarke
Proc Natl Acad Sci U S A
(2006)
103
Chemical double-mutant cycles: dissecting non-covalent interactions
SL Cockroft, CA Hunter
Chem Soc Rev
(2006)
36
Development of a novel site-specific mutagenesis assay using MALDI-ToF MS (SSMA-MS)
KIE McLuckie, JH Lamb, JK Sandhu, HL Pearson, K Brown, PB Farmer, DJL Jones
Nucleic Acids Res
(2006)
34