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1 article(s) from Subbotina, Julia

Multiscale modelling of biomolecular corona formation on metallic surfaces

Parinaz Mosaddeghi Amini,
Ian Rouse,
Julia Subbotina and
Vladimir Lobaskin

Beilstein J. Nanotechnol. 2024, 15, 215–229, doi:10.3762/bjnano.15.21

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Figure 1: Schematic representation of the life cycle of dairy products, showcasing potential sources and path...

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Figure 2: A chart of the main factors determining the structure of the bionano interface. The quantitative mo...

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Figure 3: A dataflow scheme of the multiscale modelling approach implemented in this study, including an all-...

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Figure 4: Adsorption free energy profiles of SCAs on three aluminum fcc slabs as a function of the surface se...

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Figure 5: Minimum energy of adsorption (k_BT) for each SCA on three Al fcc slabs obtained through all-atom sim...

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Figure 6: The interaction potential of glucose with the three Al surfaces predicted using the PMFPredictor To...

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Figure 7: Adsorption energy heatmaps obtained from the UnitedAtom model and corresponding 3D representations ...

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Figure 8: Mass abundance of proteins on Al and Fe surfaces (100, 110, and 111) using the original KMC approac...

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Figure 9: Mass abundance of proteins on Al and Fe surfaces (100, 110, and 111) using the KMC model with molec...

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Published 13 Feb 2024

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