Yusuf Hamied Department of Chemistry

Publications

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  • Currently displaying 13101 - 13120 of 29886 publications
Author(s)
Publication title
Journal Name
Publication year
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
(doi: 10.1186/1758-2946-5-s1-o12)
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
(doi: 10.1186/1758-2946-5-s1-p18)
International chemical identifier for chemical reactions
G Grethe, J Goodman, C Allen
Journal of Cheminformatics
(2013)
5
(doi: 10.1186/1758-2946-5-s1-o16)
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
(doi: 10.1186/1758-2946-5-s1-p24)
Structural insights into the formation and evolution of amorphous phase‐change materials
JM Skelton, D Loke, TH Lee, SR Elliott
Physica Status Solidi B Basic Research
(2013)
250
(doi: 10.1002/pssb.201248563)
Using machine learning techniques for rationalising phenotypic readouts from a rat sleeping model
G Drakakis, A Koutsoukas, SC Brewerton, DD Evans, A Bender
Journal of Cheminformatics
(2013)
5
(doi: 10.1186/1758-2946-5-s1-p34)
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
(doi: 10.1186/1758-2946-5-s1-p31)
Relating GPCRs pharmacological space based on ligands chemical similarities
A Koutsoukas, R Torella, G Drakakis, A Bender, RC Glen
Journal of cheminformatics
(2013)
5
(doi: 10.1186/1758-2946-5-s1-p26)
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
(doi: 10.1186/1758-2946-5-s1-p15)
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
(doi: 10.1186/1758-2946-5-s1-p44)
Symmetrisation schemes for global optimisation of atomic clusters
MT Oakley, RL Johnston, DJ Wales
Phys Chem Chem Phys
(2013)
15
(doi: 10.1039/c3cp44332a)
Lattice model of dynamic heterogeneity and kinetic arrest in glass-forming liquids
NB Tito, JEG Lipson, ST Milner
Soft Matter
(2013)
9
(doi: 10.1039/c3sm25679k)
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
(doi: 10.1042/bst20120349)
Synthesis of magnetic rattle-type nanostructures for use in water treatment
S Linley, T Leshuk, FX Gu
ACS Appl Mater Interfaces
(2013)
5
(doi: 10.1021/am303117g)
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
Phys Chem Chem Phys
(2013)
15
(doi: 10.1039/c3cp44179b)
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
(doi: 10.1039/c3cp43836h)
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
(doi: 10.1016/j.cplett.2013.01.046)
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
(doi: 10.1021/jp312410t)
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
(doi: 10.5194/acpd-13-7431-2013)
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
(doi: 10.1063/1.4795001)
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
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