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Andrea Ruiz-Escudero, Zuriñe Serna-Burgos, Sonia Arrasate, Humberto González- Díaz
PTML models of self assembled ligand free nanoparticle catalysts for cross coupling reactions
Scientific Reports,
2025;
15, 29895
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Borja Taboada-Seras, Carlos Santiago, Eider Sustatxa, Asier Carral-Menoyo, Nuria Sotomayor, Esther Lete
Microwave assisted Cobalt(III)-catalysed C-H aminocarbonylation reactions with isocyanates for the synthesis of thiophenecarboxamides
ChemRXiv,
2025
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Borja Taboada-Seras, Carlos Santiago, Eider Sustatxa, Asier Carral-Menoyo, Nuria Sotomayor, Esther Lete
Microwave assisted Cobalt(III)-catalysed C-H aminocarbonylation reactions with isocyanates for the synthesis of thiophenecarboxamides
Organic & Biomolecular Chemistry,
2025;
23 (31),
7283 - 7293
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Brenda Fundora, Asier Carral-Menoyo, Mikel Martinez-Nunes, Sheila Brown, Urtzi Calderón, Yeray Ferrero, Yaneris Martinez-Mendizábal, Nuria Sotomayor, Enrique Gómez-Bengoa, Esther Lete
Axial chirality control through Palladium-catalysed C-H alkenylation reactions. Atroposelective synthesis of 4-arylquinolin-2(1H)-ones
ChemRXiv,
2025
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Emilia Vásquez-Domínguez, Shan He, Carlos Santolaria, Sonia Arrasate, and Humberto González-Díaz
IFPTML Multi-Output Model for Anti-Retroviral Compounds Including the Drug Structure and Target Protein Sequence Information
Journal of Chemical Information and Modeling,
2025;
65,
4353 - 4366
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Leire Llona, Ane Ibañez, Humberto González Díaz, Harbil Bediaga, Sonia Arrasate
Adimen Artifiziala. PTIA eredu kimioinformatikoa endekapenezko gaixotasun neurologikoen kontrako botikak aurkitzeko
Ekaia: Euskal Herriko Unibertsitateko zientzi eta teknologi aldizkaria,
2025;
93 - 112
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Maider Baltasar-Marchueta, Naia López, Sara Alicante, Iratxe Barbolla, Markel Garcia Ibarluzea Rafael Ramis, Ane Miren Salomon, Arantza Muguruza-Montero, Eider Nuñez Viadero, Aritz Leonardo Sonia Arrasate, Nuria Sotomayor, Matthew M Montemore, Alvaro Villarroel, Aitor Bergara, Esther Lete, Humberto González-Díaz
Machine Learning Approach for Predicting Drug-Like Molecules Targeting Calmodulin Pathway Proteins
Journal of Chemical Information and Modelling,
2025;
65,
11892 - 11907
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Shan He, Ander Barón, Cristian R. Munteanu, Begoña de Bilbao, Gerardo M. Casañola-Martin, Mariana Chelu, Adina Magdalena Musuc, Harbil Bediaga, Estefania Ascencio, Idoia Castellanos-Rubio, Sonia Arrasate, Alejandro Pazos, Maite Insausti, Bakhtiyor Rasulev, Humberto González-Díaz
Drug Release Nanoparticle System Design: Data Set Compilation and Machine Learning Modeling
ACS Applied Materials & Interfaces,
2025;
17,
5290 - 5306
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Asier Carral-Menoyo, Iratxe Barbolla, Carlos Santiago, Martín Espinel, Nuria Sotomayor, Enrique Gómez-Bengoa, Esther Lete
Directed C-H Allylation of Aromatic Carboxamides with Allyl Aryl Ethers under Cp*Co(III)-Catalysis
European Journal of Organic Chemistry,
2024;
27, e202301090
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Asier Larrea-Sebal, Iñaki Sasiain, ShifaJebari-Benslaiman, Unai Galicia-Garcia, Kepa B. Uribe, Asier Benito-Vicente, Irene Gracia-Rubio, HarbilBediaga-Bañeres, Sonia Arrasate, Ana Cenarro, Fernando Civeira, Humberto González-Díaz, César Martín
OptiMo-LDLr: An Integrated In Silico Model with Enhanced Predictive Power for LDL Receptor Variants, Unraveling Hot Spot Pathogenic Residues
Advanced Science,
2024;
11(13), 2305177
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Ling Xue, Rajeev Singla, Shan He., Sonia Arrasate, Humberto González-Díaz, Liyan Miao, Bairong Shen
Warfarin–A natural anticoagulant: A review of research trends for precision medication
Phytomedicine,
2024;
128, 155479
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Maider Baltasar-Marchueta, Leire Llona, Sara M-Alicante, Iratxe Barbolla, Markel Garcia Ibarluzea, Rafael Ramis, Ane Miren Salomon, Brenda Fundora, Ariane Araujo, Arantza Muguruza-Montero, Eider Nuñez, Scarlett Pérez-Olea, Christian Villanueva, Aritz Leonardo, Sonia Arrasate, Nuria Sotomayor, Alvaro Villarroel, Aitor Bergara, Esther Lete, Humberto González-Díaz
Identification of Riluzole derivatives as novel calmodulin inhibitors with neuroprotective activity by a joint synthesis, biosensor, and computational guided strategy
Biomedicine & Pharmacotherapy,
2024;
174, 116602
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Paula Carracedo-Reboredo, Eider Aranzamendi, Shan He, Sonia Arrasate, Cristian R. Munteanu, Carlos Fernandez-Lozano,Nuria Sotomayor, Esther Lete, Humberto González-Díaz
MATEO: InterMolecular a-Amidoalkylation Theoretical Enantioselectivity Optimization. Online Tool for Selection and Design of Chiral Catalysts and Products
Journal of Cheminformatics,
2024;
16, 9
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Yendrek Velásquez-López, Andrea Ruiz-Escudero, Sonia Arrasate, Humberto González-Díaz
Implementation of IFPTML Computational Models in Drug Discovery Against Flaviviridae Family
Journal of Chemical Information and Modeling,
2024;
64 (6),
1841 - 1852
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Asier Carral-Menoyo, Nuria Sotomayor, Esther Lete
Palladium-Catalyzed Oxidative Arene C-H Alkenylation Reactions Involving Olefins
Trends in Chemistry,
2022;
4,
495 - 511
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Carlos Santiago, Xabier Jiménez-Aberasturi, Eztizen Leicea, Marta G. Lete, Nuria Sotomayor, and Esther Lete
Microwave-assisted Palladium catalysed C-H acylation with aldehydes. Synthesis and diversification of 3-acylthiophenes
Organic & Biomolecular Chemistry,
2022;
20,
852 - 861
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Carlos Santiago, Bernabé Ortega-Tenezaca, Iratxe Barbolla, Brenda Fundora-Ortiz, Sonia Arrasate, María Auxiliadora Dea-Ayuela, Humberto González-Díaz, Nuria Sotomayor, Esther Lete
Prediction of Antileishmanial Compounds: General Model, Preparation, and Evaluation of 2-Acylpyrrole Derivatives
J. Chem. Inf. Model.,
2022;
62, 16,
3928 - 3940
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Deyani Nocedo-Mena, Sonia Arrasate, Elvira Garza-González, Verónica M. Rivas-Galindo, Antonio Romo-Mancillas, Cristian R. Munteanu, Nuria Sotomayor, Esther Lete, Iratxe Barbolla, César A. Martín, María del Rayo Camacho-Corona
Molecular docking, SAR analysis and biophysical approaches in the study of the antibacterial activity of ceramides isolated from Cissus incisa
Bioorganic Chemistry,
2021;
109, 104745
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Iratxe Barbolla, Leidi Hernández-Suárez, Viviana Quevedo-Tumailli, Deyani Nocedo-Mena, Sonia Arrasate, María Auxiliadora Dea-Ayuela, Humberto González-Díaz, Nuria Sotomayor, Esther Lete
Palladium-mediated Synthesis and Biological Evaluation of C-10b substituted Dihydropyrrolo[1,2-b]isoquinolines as Antileishmanial Agents
Eur. J. Med. Chem,
2021;
220, 113458
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Verónica Ortiz-de-Elguea, Asier Carral-Menoyo, Lorena Simón-Vidal, Mikel Martinez-Nunes, Iratxe Barbolla, Marta G. Lete, Nuria Sotomayor, Esther Lete
Pd(II)-Catalyzed Fujiwara-Moritani Reactions for the Synthesis and Functionalization of Substituted Coumarins
ACS Omega,
2021;
6,
29483 - 29494
