Ismael Zamora

Sant Cugat Del Valles, CT, Spain

Last Updated: 09/26/2026

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Found 20 publications

Fragment Coverage: Unified Visualization and Quantitative Assessment of MS/MS Fragmentation Supports Metabolite Identification in Macromolecule Drug Metabolism Studies.

Fragment Coverage: Unified Visualization and Quantitative Assessment of MS/MS Fragmentation Supports Metabolite Identification in Macromolecule Drug Metabolism Studies.

Journal: Rapid communications in mass spectrometry : RCM

Published: July 01, 2026

Predicting enzymatic cleavage sites in cyclic peptides with non-canonical amino acids using a Graphormer model trained on MetID user data.

Predicting enzymatic cleavage sites in cyclic peptides with non-canonical amino acids using a Graphormer model trained on MetID user data.

Journal: Scientific reports

Published: March 10, 2026

Helmkit: fast and robust conversion of HELM notation to atomistic representations for large-scale macromolecular informatics.

Helmkit: fast and robust conversion of HELM notation to atomistic representations for large-scale macromolecular informatics.

Journal: Journal of cheminformatics

Published: December 12, 2025

Prediction of peptide cleavage sites using protein language models and graph neural networks.

Prediction of peptide cleavage sites using protein language models and graph neural networks.

Journal: Scientific reports

Published: May 21, 2025

An automated software-assisted approach for exploring metabolic susceptibility and degradation products in macromolecules using high-resolution mass spectrometry.

An automated software-assisted approach for exploring metabolic susceptibility and degradation products in macromolecules using high-resolution mass spectrometry.

Journal: PloS one

Published: April 29, 2025

Molecular Structure and Mass Spectral Data Quality-Driven Processing of High-Resolution Mass Spectrometry for Quantitative Analysis.

Molecular Structure and Mass Spectral Data Quality-Driven Processing of High-Resolution Mass Spectrometry for Quantitative Analysis.

Journal: Rapid communications in mass spectrometry : RCM

Published: November 11, 2024

Development of a Predictive Multiple Reaction Monitoring (MRM) Model for High-Throughput ADME Analyses Using Learning-to-Rank (LTR) Techniques.

Development of a Predictive Multiple Reaction Monitoring (MRM) Model for High-Throughput ADME Analyses Using Learning-to-Rank (LTR) Techniques.

Journal: Journal of the American Society for Mass Spectrometry

Published: November 28, 2023

Automatic Identification of Lansoprazole Degradants under Stress Conditions by LC-HRMS with MassChemSite and WebChembase.

Automatic Identification of Lansoprazole Degradants under Stress Conditions by LC-HRMS with MassChemSite and WebChembase.

Journal: Journal of chemical information and modeling

Published: June 01, 2021

Metabolite identification using an ion mobility enhanced data-independent acquisition strategy and automated data processing.

Metabolite identification using an ion mobility enhanced data-independent acquisition strategy and automated data processing.

Journal: Rapid communications in mass spectrometry : RCM

Published: January 17, 2020

Clinical and Pharmaceutical Solutions through Analysis: Europe 2018.

Clinical and Pharmaceutical Solutions through Analysis: Europe 2018.

Journal: Bioanalysis

Published: August 25, 2018

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

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

Journal: PloS one

Published: July 12, 2018

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

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

Journal: PloS one

Published: May 25, 2018

Showing 1-12 of 20

Last Updated: 09/26/2026