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  • Currently displaying 12961 - 12980 of 29308 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
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
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
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 : PCCP
(2013)
15
Symmetrisation schemes for global optimisation of atomic clusters.
MT Oakley, RL Johnston, DJ Wales
Phys Chem Chem Phys
(2013)
15
Insights into chromatin fibre structure by in vitro and in silico single-molecule stretching experiments
R Collepardo-Guevara, T Schlick
Biochem Soc Trans
(2013)
41
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 Applied Materials & 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
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
The Journal of chemical physics
(2013)
138
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
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
Structural biology: Protein self-assembly intermediates
M Vendruscolo, CM Dobson
Nat Chem Biol
(2013)
9
Trifluoromethylation of 1‐Aryl‐3,3‐diisopropyltriazenes
A Hafner, S Bräse
Advanced Synthesis & Catalysis
(2013)
355
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
Synthesis of Heteroarylated Polyfluorobiphenyls via Palladium-Catalyzed Sequential sp2 C–H Bonds Functionalizations
T Yan, L Chen, C Bruneau, PH Dixneuf, H Doucet
J Org Chem
(2013)
78
Ultratrace determination of total and available cyanides in industrial wastewaters through a rapid headspace-based sample preparation and gas chromatography with nitrogen phosphorous detection analysis.
D Marton, A Tapparo, VB Di Marco, C Repice, C Giorio, S Bogialli
Journal of Chromatography A
(2013)
1300