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List of works by Ismael Zamora

Analysis of selective regions in the active sites of human cytochromes P450, 2C8, 2C9, 2C18, and 2C19 homology models using GRID/CPCA.

scientific article published in November 2001

CYP2C9 structure-metabolism relationships: substrates, inhibitors, and metabolites

scientific article published on 4 October 2007

Characterization of type II ligands in CYP2C9 and CYP3A4.

scientific article published in March 2008

Comparison of methods for the prediction of the metabolic sites for CYP3A4-mediated metabolic reactions

scientific article published on 15 March 2006

Conformer- and Alignment-Independent Model for Predicting Structurally Diverse Competitive CYP2C9 Inhibitors

article

Contribution of solid-state properties to the aqueous solubility of drugs

scientific article published on 7 June 2006

Development, optimization and implementation of a centralized metabolic soft spot assay.

scientific article published on 24 March 2017

Discriminant and quantitative PLS analysis of competitive CYP2C9 inhibitors versus non-inhibitors using alignment independent GRIND descriptors

scientific article published on 01 July 2002

Enhanced metabolite identification with MS(E) and a semi-automated software for structural elucidation

scientific article published in November 2010

Exploration of enzyme-ligand interactions in CYP2D6 & 3A4 homology models and crystal structures using a novel computational approach

scientific article published on 24 March 2007

Fragment-based design for the development of N-domain-selective angiotensin-1-converting enzyme inhibitors

scientific article

High-throughput, computer assisted, specific MetID. A revolution for drug discovery

scientific article published in January 2013

Legacy data sharing to improve drug safety assessment: the eTOX project

scientific article published on 13 October 2017

Modeling Organic Anion-Transporting Polypeptide 1B1 Inhibition to Elucidate Interaction Risks in Early Drug Design.

scientific article

New methods in predictive metabolism

scientific article published on 01 May 2002

Post-acquisition analysis of untargeted accurate mass quadrupole time-of-flight MS(E) data for multiple collision-induced neutral losses and fragment ions of glutathione conjugates.

scientific article

Predicting Drug Metabolism: A Site of Metabolism Prediction Tool Applied to the Cytochrome P450 2C9

SHOP: a method for structure-based fragment and scaffold hopping.

scientific article published in March 2009

SHOP: receptor-based scaffold HOPping by GRID-based similarity searches.

scientific article published in March 2009

SHOP: scaffold HOPping by GRID-based similarity searches

scientific article

Shaping the future of safer innovative drugs in Europe.

scientific article published on 8 September 2011

Software-aided approach to investigate peptide structure and metabolic susceptibility of amide bonds in peptide drugs based on high resolution mass spectrometry.

scientific article published in November 2017

Software-aided structural elucidation in drug discovery.

scientific article published in November 2015

Suitability of GRIND-Based Principal Properties for the Description of Molecular Similarity and Ligand-Based Virtual Screening

article published in 2009

Surface descriptors for protein-ligand affinity prediction

scientific article published in January 2003

The molecular basis of CYP2D6-mediated N-dealkylation: balance between metabolic clearance routes and enzyme inhibition

scientific article published on 25 August 2008

Update on hydrocodone metabolites in rats and dogs aided with a semi-automatic software for metabolite identification Mass-MetaSite

scientific article published on 30 August 2012

Virtual screening and scaffold hopping based on GRID molecular interaction fields

scientific article

Virtual screening for novel openers of pancreatic K(ATP) channels

scientific article

pH-Dependent passive and active transport of acidic drugs across Caco-2 cell monolayers.

scientific article published on 23 March 2005

pH-dependent bidirectional transport of weakly basic drugs across Caco-2 monolayers: implications for drug-drug interactions.

scientific article published in August 2003

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