Publications by authors named "Alexis Molina"

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How Feasible Is Docking of PROTACs to POI-E3L Complexes? Testing Physics-Based and ML-Based Docking Tools.
Roberto Jiménez-Boi, Raúl Miñán, Chiara Pallara, Estrella Lozoya, Victor Guallar, Alexis Molina

J Chem Inf Model· November 2025

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Optimizing drug design by merging generative AI with a physics-based active learning framework.
Isaac Filella-Merce, Alexis Molina, Lucía Díaz, Marek Orzechowski, Yamina A Berchiche

Commun Chem· August 2025

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Efficient Design of Affilin Protein Binders for HER3.
Anna M Diaz-Rovira, Jonathan Lotze, Gregor Hoffmann, Chiara Pallara, Alexis Molina

Int J Mol Sci· May 2025

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Recent PELE Developments and Applications in Drug Discovery Campaigns.
Ignasi Puch-Giner, Alexis Molina, Martí Municoy, Carles Pérez, Victor Guallar

Int J Mol Sci· December 2022

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On the use of direct-coupling analysis with a reduced alphabet of amino acids combined with super-secondary structure motifs for protein fold prediction.
Bernat Anton, Mireia Besalú, Oriol Fornes, Jaume Bonet, Alexis Molina, Ruben Molina-Fernandez

NAR Genom Bioinform· June 2021

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