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  • Currently displaying 13121 - 13140 of 29898 publications
Author(s)
Publication title
Journal Name
Publication year
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
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
Relating GPCRs pharmacological space based on ligands chemical similarities
A Koutsoukas, R Torella, G Drakakis, A Bender, RC Glen
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
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 Appl Mater Interfaces
(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
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
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
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
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
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
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
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
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