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  • Currently displaying 13741 - 13760 of 30236 publications
Author(s)
Publication title
Journal Name
Publication year
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
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
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
Symmetrisation schemes for global optimisation of atomic clusters.
MT Oakley, RL Johnston, DJ Wales
Physical Chemistry Chemical Physics
(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
Frequency-stepped acquisition in nuclear magnetic resonance spectroscopy under magic angle spinning.
AJ Pell, RJ Clément, CP Grey, L Emsley, G Pintacuda
Journal of Chemical Physics
(2013)
138
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
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 Research
(2013)
41
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 of the United States of America
(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
STRUCTURAL BIOLOGY: Protein self-assembly intermediates
M Vendruscolo, CM Dobson
Nature Chemical Biology
(2013)
9