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The effect of polymer coating on nanoparticles' interaction with lipid membranes studied by coarse-grained molecular dynamics simulations.
Nanoscale. 2024 May 9;16(18):9108-9122. doi: 10.1039/d4nr00495g.
Nanoscale. 2024.
PMID: 38646798
Mechanism of RGD-conjugated nanodevice binding to its target protein integrin αVβ3 by atomistic molecular dynamics and machine learning.
Frigerio G, Donadoni E, Siani P, Vertemara J, Motta S, Bonati L, Gioia L, Valentin CD.
Frigerio G, et al. Among authors: donadoni e.
Nanoscale. 2024 Feb 22;16(8):4063-4081. doi: 10.1039/d3nr05123d.
Nanoscale. 2024.
PMID: 38334981
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Molecular Dynamics for the Optimal Design of Functionalized Nanodevices to Target Folate Receptors on Tumor Cells.
Donadoni E, Frigerio G, Siani P, Motta S, Vertemara J, De Gioia L, Bonati L, Di Valentin C.
Donadoni E, et al.
ACS Biomater Sci Eng. 2023 Nov 13;9(11):6123-6137. doi: 10.1021/acsbiomaterials.3c00942. Epub 2023 Oct 13.
ACS Biomater Sci Eng. 2023.
PMID: 37831005
Free PMC article.
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Modeling Zeta Potential for Nanoparticles in Solution: Water Flexibility Matters.
Siani P, Frigerio G, Donadoni E, Di Valentin C.
Siani P, et al. Among authors: donadoni e.
J Phys Chem C Nanomater Interfaces. 2023 May 9;127(19):9236-9247. doi: 10.1021/acs.jpcc.2c08988. eCollection 2023 May 18.
J Phys Chem C Nanomater Interfaces. 2023.
PMID: 37223652
Free PMC article.
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Metadynamics simulations for the investigation of drug loading on functionalized inorganic nanoparticles.
Motta S, Siani P, Donadoni E, Frigerio G, Bonati L, Di Valentin C.
Motta S, et al. Among authors: donadoni e.
Nanoscale. 2023 May 4;15(17):7909-7919. doi: 10.1039/d3nr00397c.
Nanoscale. 2023.
PMID: 37066796
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Multi-scale modeling of folic acid-functionalized TiO2 nanoparticles for active targeting of tumor cells.
Donadoni E, Siani P, Frigerio G, Di Valentin C.
Donadoni E, et al.
Nanoscale. 2022 Aug 25;14(33):12099-12116. doi: 10.1039/d2nr02603a.
Nanoscale. 2022.
PMID: 35959762
Free PMC article.
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Molecular dynamics simulations of cRGD-conjugated PEGylated TiO2 nanoparticles for targeted photodynamic therapy.
Siani P, Frigerio G, Donadoni E, Di Valentin C.
Siani P, et al. Among authors: donadoni e.
J Colloid Interface Sci. 2022 Dec;627:126-141. doi: 10.1016/j.jcis.2022.07.045. Epub 2022 Jul 9.
J Colloid Interface Sci. 2022.
PMID: 35842963
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Molecular dynamics simulations of doxorubicin in sphingomyelin-based lipid membranes.
Siani P, Donadoni E, Ferraro L, Re F, Di Valentin C.
Siani P, et al. Among authors: donadoni e.
Biochim Biophys Acta Biomembr. 2022 Feb 1;1864(1):183763. doi: 10.1016/j.bbamem.2021.183763. Epub 2021 Sep 8.
Biochim Biophys Acta Biomembr. 2022.
PMID: 34506799
Free article.
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