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  • Currently displaying 14221 - 14240 of 30703 publications
Author(s)
Publication title
Journal Name
Publication year
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
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
International chemical identifier for chemical reactions
G Grethe, J Goodman, C Allen
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 Basic Research
(2013)
250
Synthesis of Magnetic Rattle-Type Nanostructures for Use in Water Treatment
S Linley, T Leshuk, FX Gu
ACS Applied Materials and 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
J oyce and U lysses : 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
Symmetrisation schemes for global optimisation of atomic clusters.
MT Oakley, RL Johnston, DJ Wales
Phys Chem Chem Phys
(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
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
Physical Chemistry Chemical Physics
(2013)
15
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
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
J Chem Phys
(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
A study of the impact of land-use change in Borneo on atmospheric composition using a global model
NJ Warwick, AT Archibald, K Ashworth, J Dorsey, PM Edwards, DE Heard, B Langford, J Lee, PK Misztal, JLK Whalley, JA Pyle
Atmospheric Chemistry and Physics Discussions
(2013)
13
Real-time single-molecule imaging reveals a direct interaction between UvrC and UvrB on DNA tightropes.
CD Hughes, H Wang, H Ghodke, M Simons, A Towheed, Y Peng, B Van Houten, NM Kad
Nucleic Acids Res
(2013)
41