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Data-Driven Drug Discovery and Molecular Informatics

Dr Isidro Cortes Ciriano

Research Fellow

Publications

Modelling ligand selectivity of serine proteases using integrative proteochemometric approaches improves model performance and allows the multi-target dependent interpretation of features
QU Ain, O Méndez-Lucio, IC Ciriano, T Malliavin, GJP van Westen, A Bender
– Integr. Biol.
(2014)
6,
1023
(doi: 10.1039/c4ib00175c)
Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets.
GJ van Westen, RF Swier, I Cortes-Ciriano, JK Wegner, JP Overington, AP Ijzerman, HW van Vlijmen, A Bender
– Journal of Cheminformatics
(2013)
5,
42
(doi: 10.1186/1758-2946-5-42)
Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets
GJ van Westen, RF Swier, JK Wegner, AP Ijzerman, HW van Vlijmen, A Bender
– J Cheminform
(2013)
5,
42
(doi: 10.1186/1758-2946-5-42)
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,
p31
(doi: 10.1186/1758-2946-5-s1-p31)
Experimental validation of in silico target predictions on synergistic protein targets
I Cortes-Ciriano, A Koutsoukas, O Abian, RC Glen, A Velazquez-Campoy, A Bender
– MedChemComm
(2013)
4,
278
(doi: 10.1039/c2md20286g)
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