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  • Currently displaying 13641 - 13660 of 30138 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
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
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
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 and Interfaces
(2013)
5
Symmetrisation schemes for global optimisation of atomic clusters.
MT Oakley, RL Johnston, DJ Wales
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
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
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
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
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
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 Research
(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