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Data-Driven Drug Discovery and Molecular Informatics

Georgios Drakakis

Research Associate

Publications

Extending in silico mechanism-of-action analysis by annotating targets with pathways: application to cellular cytotoxicity readouts.
S Liggi, G Drakakis, A Koutsoukas, I Cortes-Ciriano, P Martínez-Alonso, TE Malliavin, A Velazquez-Campoy, SC Brewerton, MJ Bodkin, DA Evans, RC Glen, JA Carrodeguas, A Bender
– Future Medicinal Chemistry
(2014)
6,
2029
(doi: 10.4155/fmc.14.137)
Connecting gene expression data from connectivity map and in silico target predictions for small molecule mechanism-of-action analysis.
AC Ravindranath, N Perualila-Tan, A Kasim, G Drakakis, S Liggi, SC Brewerton, D Mason, MJ Bodkin, DA Evans, A Bhagwat, W Talloen, HWH Göhlmann, Z Shkedy, A Bender, QSTAR Consortium
– Mol Biosyst
(2014)
11,
86
(doi: 10.1039/c4mb00328d)
Comparative mode-of-action analysis following manual and automated phenotype detection in Xenopus laevis
G Drakakis, AE Hendry, K Hanson, SC Brewerton, MJ Bodkin, DA Evans, GN Wheeler, A Bender
– MedChemComm
(2014)
5,
386
(doi: 10.1039/c3md00313b)
Extensions to In Silico Bioactivity Predictions Using Pathway Annotations and Differential Pharmacology Analysis: Application to Xenopus laevis Phenotypic Readouts
S Liggi, G Drakakis, AE Hendry, KM Hanson, SC Brewerton, GN Wheeler, MJ Bodkin, DA Evans, A Bender
– Molecular Informatics
(2013)
32,
1009
(doi: 10.1002/minf.201300102)
Diversity selection of compounds based on 'protein affinity fingerprints' improves sampling of bioactive chemical space.
HP Nguyen, A Koutsoukas, F Mohd Fauzi, G Drakakis, M Maciejewski, RC Glen, A Bender
– Chem Biol Drug Des
(2013)
82,
252
(doi: 10.1111/cbdd.12155)
Relating GPCRs pharmacological space based on ligands chemical similarities
A Koutsoukas, R Torella, G Drakakis, A Bender, RC Glen
– Journal of Cheminformatics
(2013)
5,
p26
(doi: 10.1186/1758-2946-5-s1-p26)
Using machine learning techniques for rationalising phenotypic readouts from a rat sleeping model
G Drakakis, A Koutsoukas, SC Brewerton, DDE Evans, A Bender
– Journal of Cheminformatics
(2013)
5,
p34
(doi: 10.1186/1758-2946-5-s1-p34)
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About the University

Research at Cambridge