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Visualitzant per matèria "Biologia computacional"

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    • A practical guide to computational tools for engineering biocatalytic properties 

      Vega, Aitor; Planas, Antoni; Biarnés, Xevi (International Journal of Molecular Sciences 2025, 26(3), 980, 2025-02-01)
      The growing demand for efficient, selective, and stable enzymes has fueled advancements in computational enzyme engineering, a field that complements experimental methods to accelerate enzyme discovery. ...
    • Design and evaluation of an osteogenesis-on-a-chip microfluidic device incorporating 3D cell culture 

      Garcia Granada, Andres Amador; Bahmaee, Hossein; Owen, Robert; Boyle, Liam; Perrault, Cecile M.; Reilly, Gwendolen C.; Claeyssens, Frederik (Frontiers in Bioengineering and Biotechnology. Vol.8 (2018), 557111, 2020-09)
      Microfluidic-based tissue-on-a-chip devices have generated significant research interest for biomedical applications, such as pharmaceutical development, as they can be used for small volume, high ...
    • Electrostatic potential as a reactivity scoring function in computer-assisted enzyme engineering 

      Vega, Aitor; Planas, Antoni; Biarnés, Xevi (The FEBS Journal 2025, 292 (16), 4211-4231, 2025-08)
      The high catalytic efficiency of enzymes is attained, in part, by their capacity to stabilize electrostatically the transition state of the chemical reaction. High-throughput protocols for measuring ...
    • Fluid-structure interaction simulations outperform computational fluid dynamics in the description of thoracic aorta haemodynamics and in the differentiation of progressive dilation in Marfan syndrome patients 

      Martorell López, Jordi; Molins, Jose Javier; Pons, R.; Guala, A.; Rodríguez-Palomares, J.F.; Cajas, J.C.; Dux-Santoy, L.; Teixidó-Tura, G.; Vázquez, M.; Evangelista, A. (Royal Society Open Science. Vol.7, n.2 (2020), 191752, 2020-02)
      Abnormal fluid dynamics at the ascending aorta may be at the origin of aortic aneurysms. This study was aimed at comparing the performance of computational fluid dynamics (CFD) and fluid–structure ...
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