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  • Currently displaying 12881 - 12900 of 29237 publications
Author(s)
Publication title
Journal Name
Publication year
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
Angew Chem Int Ed Engl
(2013)
52
Reply to Campos and Munoz: Why phosphate is a bad buffer for guanidinium chloride titrations
AR Fersht, M Petrovich
Proceedings of the National Academy of Sciences of the United States of America
(2013)
110
Hydrodynamic comparison of the Penumbra system and commonly available syringes in forced-suction thrombectomy.
SD Simon, CP Grey
J Neurointerv Surg
(2013)
6
Diverse topologies in dynamic combinatorial libraries from tri- and mono-thiols in water : sensitivity to weak supramolecular interactions
AR Stefankiewicz, JKM Sanders
Chemical Communications
(2013)
49
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
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
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
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
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
Relating GPCRs pharmacological space based on ligands chemical similarities
A Koutsoukas, R Torella, G Drakakis, A Bender, RC Glen
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
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
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
Lattice model of dynamic heterogeneity and kinetic arrest in glass-forming liquids
NB Tito, JEG Lipson, ST Milner
Soft Matter
(2013)
9
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 : PCCP
(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
(2013)
15
Symmetrisation schemes for global optimisation of atomic clusters
MT Oakley, RL Johnston, DJ Wales
Physical Chemistry Chemical Physics
(2013)
15
Synthesis of magnetic rattle-type nanostructures for use in water treatment
S Linley, T Leshuk, FX Gu
ACS Applied Materials & Interfaces
(2013)
5