I. Zamora

发表

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

Christel A. S. Bergström, P. Artursson, C. Wassvik, 2006, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

Rapid Classification of CYP3A4 Inhibition Potential Using Support Vector Machine Approach

R. Zauhar, I. Zamora, Diansong Zhou, 2007 .

Predicting drug metabolism: a site of metabolism prediction tool applied to the cytochrome P450 2C9.

Gabriele Cruciani, Ismael Zamora, Lovisa Afzelius, 2003, Journal of medicinal chemistry.

Anchor-GRIND: filling the gap between standard 3D QSAR and the GRid-INdependent descriptors.

F. Sanz, M. Pastor, I. Zamora, 2005 .

The challenges of in silico contributions to drug metabolism in lead optimization

Roy J. Vaz, G. Cruciani, I. Zamora, 2010, Expert opinion on drug metabolism & toxicology.

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

Ismael Zamora, Per Artursson, Sibylle Neuhoff, 2005, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

SHOP: A Method For Structure‐Based Fragment and Scaffold Hopping

Ismael Zamora, Manuel Pastor, Simon Cross, 2009, ChemMedChem.

SHOP: scaffold HOPping by GRID-based similarity searches.

Anna Linusson, Ismael Zamora, Rikke Bergmann, 2007, Journal of medicinal chemistry.

Metabolite Identification Using An Ion Mobility-Enhanced Data-Independent Acquisition Strategy and Automated Data Processing.

R. Mortishire-Smith, I. Zamora, M. Wrona, 2020, Rapid communications in mass spectrometry : RCM.

Structural analysis of CYP2C9 and CYP2C5 and an evaluation of commonly used molecular modeling techniques.

C. Masimirembwa, T. Andersson, I. Zamora, 2004, Drug metabolism and disposition: the biological fate of chemicals.

5.22 – Use of Molecular Descriptors for Absorption, Distribution, Metabolism, and Excretion Predictions

S. Winiwarter, I. Zamora, A. Ungell, 2007 .

Software-aided workflow for predicting protease-specific cleavage sites using physicochemical properties of the natural and unnatural amino acids in peptide-based drug discovery

I. Zamora, Fabien Fontaine, T. Radchenko, 2018, bioRxiv.

Software-aided workflow for predicting protease-specific cleavage sites using physicochemical properties of the natural and unnatural amino acids in peptide-based drug discovery: Peptide cleavage sites prediction workflow

I. Zamora, Fabien Fontaine, T. Radchenko, 2018, bioRxiv.

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

Ross G. Douglas, K. Chibale, I. Zamora, 2013, Clinical science.

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

I. Zamora, Fabien Fontaine, G. Plasencia, 2013, Drug discovery today. Technologies.

Diversity Oriented Virtual Compound Selection Strategy for High Throughput Cell-Based Screening of Potential Anticancer Agents

Ismael Zamora, Jordi Mestres, Simona Distinto, 2008 .

Virtual Screening and Scaffold Hopping Based on GRID Molecular Interaction Fields

Ismael Zamora, Marie M. Ahlström, Marianne Ridderström, 2005, J. Chem. Inf. Model..

BRASSINOSTEROIDS : A NEW WAY TO DEFINE THE STRUCTURAL REQUIREMENTS

I. Zamora, C. Brosa, Joan Miquel Capdevila, 1996 .

Site of Metabolism Predictions: Facts and Experiences

I. Zamora, 2008 .

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

S. Winiwarter, I. Zamora, 2016, Journal of pharmaceutical sciences.

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

I. Zamora, Fabien Fontaine, T. Radchenko, 2017, PloS one.

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

Ismael Zamora, Anders Karlén, Collen M. Masimirembwa, 2002, J. Comput. Aided Mol. Des..

Enabling Efficient Late‐Stage Functionalization of Drug‐Like Molecules with LC‐MS and Reaction‐Driven Data Processing

Shane W. Krska, L. Goracci, I. Zamora, 2017 .

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

Ismael Zamora, Marie M. Ahlström, I. Zamora, 2007, Journal of medicinal chemistry.

CYP2C9 structure-metabolism relationships: optimizing the metabolic stability of COX-2 inhibitors.

Ismael Zamora, Marie M. Ahlström, Kristina Luthman, 2007, Journal of medicinal chemistry.

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

I. Zamora, Y. Shu, T. Zvyaga, 2017, Bioanalysis.

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

Anne Hersey, Søren Brunak, Anthony J. Brookes, 2017, Nature Reviews Drug Discovery.

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.

I. Zamora, Fabien Fontaine, A. Pähler, 2014, Rapid communications in mass spectrometry : RCM.

Characterization of type II ligands in CYP2C9 and CYP3A4.

Marie M. Ahlström, I. Zamora, 2008, Journal of medicinal chemistry.

Brassinosteroids: A New Way to Define the Structural Requirements.

I. Zamora, C. Brosa, Joan Miquel Capdevila, 1996 .

Synthesis and molecular modeling: Related approaches to progress in brassinosteroid research

I. Zamora, R. Peracaula, C. Brosa, 1997, Lipids.

Software-aided cytochrome P450 reaction phenotyping and kinetic analysis in early drug discovery.

I. Zamora, Fabien Fontaine, A. Pähler, 2016, Rapid communications in mass spectrometry : RCM.

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

Ismael Zamora, I. Zamora, Fabien Fontaine, 2010, Rapid communications in mass spectrometry : RCM.

pH-Dependent Bidirectional Transport of Weakly Basic Drugs Across Caco-2 Monolayers: Implications for Drug–Drug Interactions

Ismael Zamora, Per Artursson, Sibylle Neuhoff, 2003, Pharmaceutical Research.

Shaping the future of safer innovative drugs in Europe

J. Gasteiger, J. Mestres, I. Zamora, 2011, Nature Biotechnology.

VOLSURF: A Tool for Drug ADME‐Properties Prediction

R. Mannhold, G. Cruciani, I. Zamora, 2004 .

The Molecular Basis of CYP2D6-Mediated N-Dealkylation: Balance between Metabolic Clearance Routes and Enzyme Inhibition

Ismael Zamora, Yasmin Aristei, C. Masimirembwa, 2008, Drug Metabolism and Disposition.

Pharmacokinetically based mapping device for chemical space navigation.

Tudor I. Oprea, Tudor I Oprea, Ismael Zamora, 2002, Journal of combinatorial chemistry.

Model based on GRID-derived descriptors for estimating CYP3A4 enzyme stability of potential drug candidates

Ismael Zamora, Patrizia Crivori, Italo Poggesi, 2004, J. Comput. Aided Mol. Des..

The Effect of Electrostatic Properties and Abibility to Form Hydrogen-Bonds on the Activity of Brassinosteroid Side-Chain Analogs

L. Kohout, I. Zamora, C. Brosa, 1998 .

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

I. Zamora, J. Chovan, E. Yu, 2013, Xenobiotica; the fate of foreign compounds in biological systems.

Combining pharmacophore and protein modeling to predict CYP450 inhibitors and substrates.

Ismael Zamora, Tommy B Andersson, C. Masimirembwa, 2002, Methods in enzymology.

Structural analysis of CYP2C9 and CYP2C5 and an evaluation of commonly used molecular modeling techniques.

Anders Karlén, Flemming Steen Jørgensen, Florian Raubacher, 2004, Drug metabolism and disposition: the biological fate of chemicals.

New methods in predictive metabolism

Scott Boyer, Ismael Zamora, Ismael Zamora, 2002, J. Comput. Aided Mol. Des..

Competitive CYP2C9 inhibitors: enzyme inhibition studies, protein homology modeling, and three-dimensional quantitative structure-activity relationship analysis.

C. Masimirembwa, T. Andersson, I. Zamora, 2001, Molecular pharmacology.

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

Ismael Zamora, Manuel Pastor, Ángel Durán, 2009, J. Chem. Inf. Model..

Impact of Extracellular Protein Binding on Passive and Active Drug Transport Across Caco-2 Cells

Ismael Zamora, Per Artursson, Sibylle Neuhoff, 2005, Pharmaceutical Research.

Enhancing Throughput of Glutathione Adduct Formation Studies and Structural Identification Using a Software-Assisted Workflow Based on High-Resolution Mass Spectrometry (HRMS) Data

I. Zamora, Fabien Fontaine, A. Pähler, 2016 .

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

T. Andersson, I. Zamora, O. Fjellström, 2001, Journal of medicinal chemistry.

COMPARISON OF METHODS FOR THE PREDICTION OF THE METABOLIC SITES FOR CYP3A4-MEDIATED METABOLIC REACTIONS

Diansong Zhou, Ismael Zamora, Tommy B Andersson, 2006, Drug Metabolism and Disposition.

Software-aided structural elucidation in drug discovery.

R. A. Thompson, I. Zamora, M. A. Hayes, 2015, Rapid communications in mass spectrometry : RCM.

WebMetabase: cleavage sites analysis tool for natural and unnatural substrates from diverse data source

Tatiana Radchenko, Fabien Fontaine, Luca Morettoni, 2018, Bioinform..