Carlos Roca

Galapagos (France) — France

Computer Science · Physical Sciences

15h-index738citations32works3.72yr avg
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Research Topics

Computational Drug Discovery Methods(13), Chemokine receptors and signaling(8), Cholinesterase and Neurodegenerative Diseases(6), Immunotherapy and Immune Responses(5), Machine Learning in Materials Science(4)

Publications32 total

Computational Hit Finding: An Industry Perspective
Journal of Medicinal Chemistry·2025· 3 cited
Allosteric modulation of the CXCR4:CXCL12 axis by targeting receptor nanoclustering via the TMV-TMVI domain
eLife·2024· 8 citedOpen Access
Author response: Allosteric modulation of the CXCR4:CXCL12 axis by targeting receptor nanoclustering via the TMV-TMVI domain
2024Open Access
Author response: Allosteric modulation of the CXCR4:CXCL12 axis by targeting receptor nanoclustering via the TMV-TMVI domain
2024Open Access
Allosteric modulation of the CXCR4:CXCL12 axis by targeting receptor nanoclustering via the TMV-TMVI domain
2024Open Access
Discovery of Clinical Candidate GLPG3970: A Potent and Selective Dual SIK2/SIK3 Inhibitor for the Treatment of Autoimmune and Inflammatory Diseases
Journal of Medicinal Chemistry·2024· 20 citedOpen Access
Author Response: Allosteric modulation of the CXCR4:CXCL12 axis by targeting receptor nanoclustering via the TMV-TMVI domain
2024Open Access
Allosteric modulation of the CXCR4:CXCL12 axis by targeting receptor nanoclustering via the TMV-TMVI domain
2024Open Access
Allosteric modulation of the CXCR4:CXCL12 axis by targeting receptor nanoclustering via the TMV-TMVI domain
eLife·2024· 2 citedOpen Access
Optimization of Selectivity and Pharmacokinetic Properties of Salt-Inducible Kinase Inhibitors that Led to the Discovery of Pan-SIK Inhibitor GLPG3312
Journal of Medicinal Chemistry·2023· 20 citedOpen Access
Allosteric modulation of the CXCR4:CXCL12 axis by targeting receptor nanoclustering via the TMV-TMVI domain
2023· 1 citedOpen Access
Multitask Deep Neural Networks for Ames Mutagenicity Prediction
Journal of Chemical Information and Modeling·2022· 22 cited
Multi-Task Deep Neural Networks for Ames Mutagenicity Prediction
2022Open Access
AI in drug development: a multidisciplinary perspective
Molecular Diversity·2021· 67 citedOpen Access
Glycogen synthase kinase 3 (GSK-3) inhibitors: a patent update (2016–2019)
Expert Opinion on Therapeutic Patents·2020· 36 cited
From simple quinoxalines to potent oxazolo[5,4-<i>f</i>]quinoxaline inhibitors of glycogen-synthase kinase 3 (GSK3)
Organic & Biomolecular Chemistry·2019· 13 citedOpen Access
Multitarget triazoles: an innovative approach for the treatment of Alzheimer’s disease
2019Open Access
New protein-protein interaction modulators for the therapeutic regulation of synapse dysfunction in neurodevelopmental disorders and neurodegeneration
DIGITAL.CSIC (Spanish National Research Council (CSIC))·2019Open Access
QSAR Classification Models for Predicting the Activity of Inhibitors of Beta-Secretase (BACE1) Associated with Alzheimer’s Disease
Scientific Reports·2019· 68 citedOpen Access
Indazolylketones as new multitarget cannabinoid drugs
European Journal of Medicinal Chemistry·2019· 20 citedOpen Access
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Frequent Co-authors

Nuria E. Campillo(26), Ana Martı́nez(20), Concepción Pérez(10), Alfonso García‐Rubia(9), Eva M. García‐Cuesta(8), Pablo Martínez(8), Karthik Selvaraju(8), Adrián Miguel Gómez Pozo(8), Gianluca D’Agostino(8), Sofía R. Gardeta(8), Adriana Quijada‐Freire(8), Patricia Blanco Gabella(8), Rodrigo Jiménez‐Saiz(8), Pilar Lucas(8), Rosa Ayala-Bueno(8), Noelia Santander Acerete(8), Yolanda R. Carrasco(8), José Miguel Rodríguez‐Frade(8), César Santiago(8), Mario Mellado(8)