Loucera, CarlosEsteban-Medina, MarinaRian, KinzaFalco, Matías M.Dopazo, JoaquínPeña-Chilet, María2021-12-012021-12-012020-12-11Loucera C, Esteban-Medina M, Rian K, Falco MM, Dopazo J, Peña-Chilet M. Drug repurposing for COVID-19 using machine learning and mechanistic models of signal transduction circuits related to SARS-CoV-2 infection. Signal Transduct Target Ther. 2020 Dec 11;5(1):290.2059-3635http://hdl.handle.net/10668/3426enAtribución 4.0 Internacionalhttp://creativecommons.org/licenses/by/4.0/COVID-19Reposicionamiento de medicamentosDrug repositioningQuímica computacionalComputational chemistryAprendizaje automáticoMachine learningTerapia molecular dirigidaMolecular targeted therapySimulación del acoplamiento molecularMolecular docking simulationMedical Subject Headings::Diseases::Virus Diseases::RNA Virus Infections::Nidovirales Infections::Coronaviridae Infections::Coronavirus InfectionsMedical Subject Headings::Organisms::Eukaryota::Animals::Chordata::Vertebrates::Mammals::Primates::Haplorhini::Catarrhini::Hominidae::HumansMedical Subject Headings::Information Science::Information Science::Computing Methodologies::Computer Simulation::Molecular Docking SimulationMedical Subject Headings::Analytical, Diagnostic and Therapeutic Techniques and Equipment::Therapeutics::Drug Therapy::Molecular Targeted TherapyMedical Subject Headings::Chemicals and Drugs::Amino Acids, Peptides, and Proteins::ProteinsMedical Subject Headings::Phenomena and Processes::Chemical Phenomena::Biochemical Phenomena::Biochemical Processes::Signal TransductionMedical Subject Headings::Analytical, Diagnostic and Therapeutic Techniques and Equipment::Investigative Techniques::Drug Discovery::Drug Repositioningletter33311438open access10.1038/s41392-020-00417-yPMC7729141