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Ismael Zamora

lead molecular design, s.l

30H-index
91Paper Count
2.6KCitation Count
Published Papers 36
Publication Date
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Helmkit: fast and robust conversion of HELM notation to atomistic representations for large-scale macromolecular informatics
errJournal of Cheminformatics
IF5.7
err2026-05-29
err0
errOAAI
errRamon Adàlia; Gemma Sanjuan; Tomàs Margalef; Ismael Zamora
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Predicting enzymatic cleavage sites in cyclic peptides with non-canonical amino acids using a Graphormer model trained on MetID user data
errScientific Reports
IF3.9
err2026-04-25
err0
errOAAI
errPaula Cifuentes; Ramon Adàlia; Lisa A. Vasicek; Richard Gundersdorf; Abigail Wheeler; Ismael Zamora
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Machine Learning-Assisted False Positive Detection in Metabolite Identification Workflows
errANALYTICAL CHEMISTRY
IF6.7
err2025-12-01
err0
errOAAI
errAdalia, Ramon; Cifuentes, Paula; Liu, Joyce; Cheruzel, Lionel; Sanjuan, Gemma; Margalef, Tomas; Zamora, Ismael
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Prediction of peptide cleavage sites using protein language models and graph neural networks
errScientific Reports
IF3.9
err2025-10-30
err0
errOAAI
errPaula Cifuentes; Ramon Adàlia; Ismael Zamora
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MARS: A Multipurpose Software for Untargeted LC-MS-Based Metabolomics and Exposomics
errANALYTICAL CHEMISTRY
IF6.7
err2024-01-18
err2
errOAAI
errGoracci, Laura; Tiberi, Paolo; Di Bona, Stefano; Bonciarelli, Stefano; Passeri, Giovanna Ilaria; Piroddi, Marta; Moretti, Simone; Volpi, Claudia; Zamora, Ismael; Cruciani, Gabriele
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Development of a Predictive Multiple Reaction Monitoring (MRM) Model for High-Throughput ADME Analyses Using Learning-to-Rank (LTR) Techniques
errJOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
IF2.7
err2023-11-28
err0
PREAI
errAdalia, Ramon; Patel, Shivani; Paiva, Anthony; Kaufman, Tierni; Zamora, Ismael; Cai, Xianmei; Sanjuan, Gemma; Shou, Wilson Z.
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Looking beyond the Active Substance: Comprehensive Dissipation Study of Myclobutanil-Based Plant Protection Products in Tomatoes and Grapes Using Chromatographic Techniques Coupled to High-Resolution Mass Spectrometry
errJOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
IF6.2
err2022-05-20
err7
errOAAI
errMarin-Saez, Jesus; Lopez-Ruiz, Rosalia; Romero-Gonzalez, Roberto; Frenich, Antonia Garrido; Rico, Ismael Zamora
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Automatic Identification of Lansoprazole Degradants under Stress Conditions by LC-HRMS with MassChemSite and WebChembase
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2021-06-01
err6
errOAAI
errBonciarelli, Stefano; Desantis, Jenny; Goracci, Laura; Siragusa, Lydia; Zamora, Ismael; Ortega-Carrasco, Elisabeth
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Modeling Organic Anion-Transporting Polypeptide 1B1 Inhibition to Elucidate Interaction Risks in Early Drug Design
errJOURNAL OF PHARMACEUTICAL SCIENCES
IF3.8
err2016-10-01
err3
PREAI
errZamora, Ismael; Winiwarter, Susanne
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Fragment-based design for the development of N-domain-selective angiotensin-1-converting enzyme inhibitors
errCLINICAL SCIENCE
IF7.7
err2013-10-22
err38
errOAAI
errDouglas, Ross G.; Sharma, Rajni K.; Masuyer, Geoffrey; Lubbe, Lizelle; Zamora, Ismael; Acharya, K. Ravi; Chibale, Kelly; Sturrock, Edward D.
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Shaping the future of safer innovative drugs in Europe
errNATURE BIOTECHNOLOGY
IF41.7
err2011-09-08
err3
PREAI
errMestres, Jordi; Bryant, Sharon D.; Zamora, Ismael; Gasteiger, Johann
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The challenges of in silico contributions to drug metabolism in lead optimization
errEXPERT OPINION ON DRUG METABOLISM & TOXICOLOGY
IF3.4
err2010-06-22
err25
PREAI
errVaz, Roy J.; Zamora, Ismael; Li, Yi; Reiling, Stephan; Shen, Jian; Cruciani, Gabriele
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Suitability of GRIND-Based Principal Properties for the Description of Molecular Similarity and Ligand-Based Virtual Screening
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2009-09-04
err54
errOAAI
errDuran, Angel; Zamora, Ismael; Pastor, Manuel
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SHOP: A Method For Structure-Based Fragment and Scaffold Hopping
errCHEMMEDCHEM
IF3.4
err2009-03-11
err15
PREAI
errFontaine, Fabien; Cross, Simon; Plasencia, Guillem; Pastor, Manuel; Zamora, Ismael
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SHOP: Receptor-Based Scaffold HOPping by GRID-Based Similarity Searches
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2009-03-05
err16
PREAI
errBergmann, Rikke; Liljefors, Tommy; Sorensen, Morten D.; Zamora, Ismael
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Characterization of type II ligands in CYP2C9 and CYP3A4
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2008-03-01
err31
PREAI
errAhlstrom, Marie M.; Zamora, Ismael
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CYP2C9 structure-metabolism relationships:: Substrates, inhibitors, and metabolites
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2007-10-04
err39
PREAI
errAhlstrom, Marie M.; Ridderstrom, Marianne; Zamora, Ismael
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CYP2C9 structure-metabolism relationships:: Optimizing the metabolic stability of COX-2 inhibitors
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2007-08-14
err105
PREAI
errAhlstroem, Marie M.; Ridderstroem, Marianne; Zamora, Ismael; Luthman, Kristina
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SHOP: Scaffold HOPping by GRID-based similarity searches
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2007-05-10
err70
PREAI
errBergmann, Rikke; Linusson, Anna; Zamora, Ismael
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Virtual screening for novel openers of pancreatic KATP channels
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2007-04-11
err43
PREAI
errCarosati, Emanuele; Mannhold, Raimund; Wahl, Philip; Hansen, John Bondo; Fremming, Tinna; Zamora, Ismael; Cianchetta, Giovanni; Baroni, Massimo
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Research Directions

No research directions
Co-authors
Cooperation Journals
P
Per Artursson
H-index: 94 · Papers: 374
T
Tudor I. Oprea
H-index: 85 · Papers: 509
Y
Yi Li
H-index: 80 · Papers: 1.1K
K
K. Ravi Acharya
H-index: 63 · Papers: 448
G
Gabriele Cruciani
H-index: 61 · Papers: 351
View more