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  • Currently displaying 14641 - 14660 of 31132 publications
Author(s)
Publication title
Journal Name
Publication year
Quantum Influences in the Diffusive Motion of Pyrrole on Cu(111)
BAJ Lechner, H Hedgeland, J Ellis, W Allison, M Sacchi, SJ Jenkins, BJ Hinch
Angewandte Chemie
(2013)
125
Ligand-directed control over crystal structures of inorganic-organic frameworks and formation of solid solutions
HH-M Yeung, W Li, PJ Saines, TKJ Köster, CP Grey, AK Cheetham
Angewandte Chemie International Edition
(2013)
52
Quantum Influences in the Diffusive Motion of Pyrrole on Cu(111)
BAJ Lechner, H Hedgeland, J Ellis, W Allison, M Sacchi, SJ Jenkins, BJ Hinch
Angewandte Chemie International Edition
(2013)
52
Diverse topologies in dynamic combinatorial libraries from tri- and mono-thiols in water: sensitivity to weak supramolecular interactions
AR Stefankiewicz, JKM Sanders
Chemical communications (Cambridge, England)
(2013)
49
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
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
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
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
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
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
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
International chemical identifier for chemical reactions
G Grethe, J Goodman, C Allen
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
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
Lattice model of dynamic heterogeneity and kinetic arrest in glass-forming liquids
NB Tito, JEG Lipson, ST Milner
Soft Matter
(2013)
9
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
Phys Chem Chem Phys
(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
Biochem Soc Trans
(2013)
41