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  • Currently displaying 13241 - 13260 of 29607 publications
Author(s)
Publication title
Journal Name
Publication year
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
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
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
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
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
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
Lattice model of dynamic heterogeneity and kinetic arrest in glass-forming liquids
NB Tito, JEG Lipson, ST Milner
Soft Matter
(2013)
9
Synthesis of magnetic rattle-type nanostructures for use in water treatment.
S Linley, T Leshuk, FX Gu
ACS Appl Mater Interfaces
(2013)
5
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
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
Understanding the conduction mechanism of the protonic conductor CsH 2PO4 by solid-state NMR spectroscopy
G Kim, F Blanc, Y-Y Hu, CP Grey
The Journal of Physical Chemistry C
(2013)
117
Atomic structure and hierarchical assembly of a cross-β amyloid fibril
AWP Fitzpatrick, GT Debelouchina, MJ Bayro, DK Clare, MA Caporini, VS Bajaj, CP Jaroniec, L Wang, V Ladizhansky, SA Müller, CE MacPhee, CA Waudby, HR Mott, A De Simone, TPJ Knowles, HR Saibil, M Vendruscolo, EV Orlova, RG Griffin, CM Dobson
Proceedings of the National Academy of Sciences
(2013)
110
Selective detection of tetrahedral units in amorphous GeTe-based phase change alloys using Ge L3-edge x-ray absorption near-edge structure spectroscopy
M Krbal, AV Kolobov, P Fons, KV Mitrofanov, Y Tamenori, J Hegedüs, SR Elliott, J Tominaga
Applied Physics Letters
(2013)
102
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 research
(2013)
41
Structural biology: Protein self-assembly intermediates.
M Vendruscolo, CM Dobson
Nature Chemical Biology
(2013)
9
Trifluoromethylation of 1‐Aryl‐3,3‐diisopropyltriazenes
A Hafner, S Bräse
Advanced Synthesis & Catalysis
(2013)
355