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+34 946 567 842
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+34 946 567 842
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nmoreno@bcamath.org
Information of interest
My research focuses on the particle-based multiscale simulation of synthetic and biological soft matter, such as hierarchical assembly block copolymer and proteins, and the flow of colloidal and cellular systems.
My three main research topics are i) the self-assembly and thermodynamic similarities between biological and synthetic molecules, ii) the multiscale modelling of biological systems (proteins, organelles, viruses, and cells), and iii) consistent coarse-graining methodologies for particle-based models. My research is driven by a workflow involving theoretical/computational/experimental interdisciplinary interactions. My goal is to provide reliable computational models to gain insights into hierarchical assembly pathways and provide experimentalist tools to design better methodologies/materials.
Currently, I am working on the multiscale modelling of thrombotic processes related to SARS-CoV-2. I have also investigated the role of hydrodynamic interactions in the transport of viruses. In this work, the interplay between the shape and affinity of the spike proteins decorating enveloped virus was investigated numerically.
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Computational Mesoscale Framework for Biological Clustering and Fractal Aggregation
Zohravi, E.
; Moreno, N.; Ellero, M. (2023-09-11)
Hierarchical clustering due to diffusion and reaction is a widespread occurrence in natural phenomena, displaying fractal behavior with non-integer size scaling. The study of this phenomenon has garnered interest in both ...
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Computational modeling of passive transport of functionalized nanoparticles
Moreno-Chaparro, D.; Moreno, N.; Balboa, F.; Ellero, M. (2023-03-14)
Functionalized nanoparticles (NPs) are complex objects present in a variety of systems ranging from synthetic grafted nanoparticles to viruses. The morphology and number of the decorating groups can vary widely between ...
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Hydrodynamics of spike proteins dictate a transport-affinity competition for SARS-CoV-2 and other enveloped viruses
Moreno, N.; Moreno-Chaparro, D.; Balboa, F.; Ellero, M. (2022-12-01)
Many viruses, such as SARS-CoV-2 or Influenza, possess envelopes decorated with surface proteins (a.k.a. spikes). Depending on the virus type, a large variability is present in the surface-proteins number, morphology and ...
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Arbitrary flow boundary conditions in smoothed dissipative particle dynamics: A generalized virtual rheometer
Moreno, N.; Ellero, M. (2021-01-01)
In this work, a methodology to perform rheological studies on smoothed dissipative particle dynamics under arbitrary flow configurations is introduced. To evaluate the accuracy and flexibility of the proposed methodology, ...
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The complex viscosity of Möbius macromolecules
Piette, J. H.; Moreno, N.; Fried, E.; Giacomin, A. J. (2020-09-01)
Using general rigid bead-rod theory, we explore the effect of twisting a macromolecule on its rheological properties in suspensions. We thus focus on macromolecules having the form of Möbius bands so that the number of ...
- ViBRheo (101021893). Design of a virtual blood rheometer for thrombotic process characterization. Funded by European Union’s Horizon 2020 under the Marie Skłodowska-Curie. Individual Fellowships (score 97.4/100). 01/01/2022 to 31/12/2023. EUR 173k. https://vibrheo.bcamath.org/
