Imbernón, Baldomero; Prades Gasulla, Javier; Gimenez Canovas, Domingo; Cecilia, J. M.; Silla Jiménez, Federico(Elsevier, 2018-02)
[EN] Virtual Screening (VS) methods can considerably aid clinical research by predicting how ligands interact with pharmacological targets, thus accelerating the slow and critical process of finding new drugs. VS methods ...
[EN] Internet of Things (IoT) is becoming a new socioeconomic revolution in which data and immediacy are the main ingredients. IoT generates large datasets on a daily basis but it is currently considered as "dark data", ...
Cebrian, Juan M.; Imbernón, Baldomero; Soto, Jesús; Cecilia-Canales, José María(MDPI AG, 2021-09)
[EN] Clustering algorithms are one of the most widely used kernels to generate knowledge from large datasets. These algorithms group a set of data elements (i.e., images, points, patterns, etc.) into clusters to identify ...
Cebrian, Juan M.; Imbernón, Baldomero; Soto, Jesús; García, José M.; Cecilia-Canales, José María(Elsevier, 2020-05)
[EN] The Internet of Things (IoT) is pushing the next economic revolution in which the main players are data and immediacy. IoT is increasingly producing large amounts of data that are now classified as "dark data'' because ...
Imbernón, Baldomero; Serrano, Antonio; Bueno-Crespo, Andrés; Abellán, José L.; Pérez-Sánchez, Horacio; Cecilia-Canales, José María(Oxford University Press, 2020-01-21)
[EN] Motivation
Molecular docking methods are extensively used to predict the interaction between protein-ligand systems in terms of structure and binding affinity, through the optimization of a physics-based scoring ...
Guillén-Navarro, Miguel A.; Llanes, Antonio; Imbernón, Baldomero; Martínez-España, Raquel; Bueno-Crespo, Andrés; Cano, Juan-Carlos; Cecilia-Canales, José María(Springer-Verlag, 2021-01)
[EN] The Internet of Things (IoT) is driving the digital revolution. AlSome palliative measures aremost all economic sectors are becoming "Smart" thanks to the analysis of data generated by IoT. This analysis is carried ...
Serrano, Antonio; Imbernón, Baldomero; Pérez-Sánchez, Horacio; Cecilia-Canales, José María; Bueno-Crespo, Andrés; Abellán, José L.(Elsevier, 2020-11)
[EN] Molecular docking is often used in computational chemistry to accelerate drug discovery at early stages. Many molecular simulations are performed to select the right pharmacological candidate. However, traditional ...