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  • Currently displaying 13641 - 13660 of 30147 publications
Author(s)
Publication title
Journal Name
Publication year
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
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
Relating GPCRs pharmacological space based on ligands chemical similarities
A Koutsoukas, R Torella, G Drakakis, A Bender, 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 and Interfaces
(2013)
5
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
(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
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
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
Symmetrisation schemes for global optimisation of atomic clusters
MT Oakley, RL Johnston, DJ Wales
Phys Chem Chem Phys
(2013)
15
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
Journal of Chemical Physics
(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
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
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
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
Tropospheric ozone changes, radiative forcing and attribution to emissions in the Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP)
DS Stevenson, PJ Young, V Naik, J-F Lamarque, DT Shindell, A Voulgarakis, RB Skeie, SB Dalsoren, G Myhre, TK Berntsen, GA Folberth, ST Rumbold, WJ Collins, IA MacKenzie, RM Doherty, G Zeng, TPC van Noije, A Strunk, D Bergmann, P Cameron-Smith, DA Plummer, SA Strode, L Horowitz, YH Lee, S Szopa, K Sudo, T Nagashima, B Josse, I Cionni, M Righi, V Eyring, A Conley, KW Bowman, O Wild, A Archibald
Atmospheric Chemistry and Physics
(2013)
13