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  • Currently displaying 13921 - 13940 of 30391 publications
Author(s)
Publication title
Journal Name
Publication year
International chemical identifier for chemical reactions
G Grethe, J Goodman, C Allen
Journal of Cheminformatics
(2013)
5
Chemogenomics approaches to rationalising compound action of traditional Chinese and Ayurvedic medicines
FM Fauzi, A Koutsoukas, R Lowe, K Joshi, T-P Fan, A Bender
Journal of Cheminformatics
(2013)
5
Using machine learning techniques for rationalising phenotypic readouts from a rat sleeping model
G Drakakis, A Koutsoukas, SC Brewerton, DD Evans, A Bender
Journal of Cheminformatics
(2013)
5
Experimental validation of in silico target predictions on synergistic protein targets
I Cortes-Ciriano, A Koutsoukas, O Abian, A Bender, A Velazquez-Campoy
Journal of Cheminformatics
(2013)
5
Relating GPCRs pharmacological space based on ligands chemical similarities
A Koutsoukas, R Torella, G Drakakis, A Bender, RC Glen
Journal of cheminformatics
(2013)
5
Revised classification of kinases based on bioactivity data: the importance of data density and choice of visualization
S Paricharak, T Klenka, M Augustin, UA Patel, A Bender
Journal of Cheminformatics
(2013)
5
In silico target prediction: identification of on- and off-targets for crop protection agents
RK Chiddarwar, A Bender, S Rohrer
Journal of Cheminformatics
(2013)
5
Annotating targets with pathways: extending approaches to mode of action analysis
S Liggi, A Koutsoukas, YK Motamedi, RC Glen, A Bender
Journal of cheminformatics
(2013)
5
Quantifying the shifts in physicochemical property space introduced by the metabolism of small organic molecules
J Kirchmair, A Howlett, J Peironcely, DS Murrell, M Williamson, SE Adams, T Hankemeier, L van Buren, G Duchateau, W Klaffke, RC Glen
Journal of Cheminformatics
(2013)
5
Structural insights into the formation and evolution of amorphous phase-change materials
JM Skelton, D Loke, TH Lee, SR Elliott
physica status solidi (b)
(2013)
250
Synthesis of Magnetic Rattle-Type Nanostructures for Use in Water Treatment
S Linley, T Leshuk, FX Gu
ACS Applied Materials & Interfaces
(2013)
5
Phase behavior and mixed ionic–electronic conductivity of Ba4Sb2O9
MT Dunstan, AF Pavan, VV Kharton, M Avdeev, JA Kimpton, VA Kolotygin, EV Tsipis, CD Ling
Solid State Ionics
(2013)
235
Symmetrisation schemes for global optimisation of atomic clusters
MT Oakley, RL Johnston, DJ Wales
Physical Chemistry Chemical Physics
(2013)
15
Single-crystal adsorption calorimetry and density functional theory of CO chemisorption on fcc Co{110}.
K Liao, V Fiorin, DSD Gunn, SJ Jenkins, DA King
Phys Chem Chem Phys
(2013)
15
Joyce and Ulysses: Integrated and user-friendly tools for the parameterization of intramolecular force fields from quantum mechanical data
V Barone, I Cacelli, N De Mitri, D Licari, S Monti, G Prampolini
Physical chemistry chemical physics : PCCP
(2013)
15
Insights into chromatin fibre structure by in vitro and in silico single-molecule stretching experiments.
R Collepardo-Guevara, T Schlick
Biochemical Society transactions
(2013)
41
Lattice model of dynamic heterogeneity and kinetic arrest in glass-forming liquids
NB Tito, JEG Lipson, ST Milner
Soft Matter
(2013)
9
Understanding the Conduction Mechanism of the Protonic Conductor CsH2PO4 by Solid-State NMR Spectroscopy
G Kim, F Blanc, Y-Y Hu, CP Grey
The Journal of Physical Chemistry C
(2013)
117
Frequency-stepped acquisition in nuclear magnetic resonance spectroscopy under magic angle spinning.
AJ Pell, RJ Clément, CP Grey, L Emsley, G Pintacuda
The Journal of Chemical Physics
(2013)
138
Hydration, acidity and metal complexing of polysulfide species: A first principles molecular dynamics study
X Liu, M Sprik, J Cheng
Chemical Physics Letters
(2013)
563