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Siani, Paulo
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1

Nature of TiO2–oligonucleotides interactions by atomistic m..:

Soria, Federico A. ; Siani, Paulo ; Valentin, Cristiana Di
Surfaces and Interfaces.  52 (2024)  - p. 104889 , 2024
Link: https://doi.org/10.1016/..
 
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2

Mechanism of RGD-conjugated nanodevice binding to its targe..:

Frigerio, Giulia ; Donadoni, Edoardo ; Siani, Paulo...
Nanoscale.  16 (2024)  8 - p. 4063-4081 , 2024
Link: https://doi.org/10.1039/..
 
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3

The effect of polymer coating on nanoparticles' interaction..:

Donadoni, Edoardo ; Siani, Paulo ; Frigerio, Giulia...
Nanoscale.  16 (2024)  18 - p. 9108-9122 , 2024
Link: https://doi.org/10.1039/..
 
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4

Metadynamics simulations for the investigation of drug load..:

Motta, Stefano ; Siani, Paulo ; Donadoni, Edoardo...
Nanoscale.  15 (2023)  17 - p. 7909-7919 , 2023
Link: https://doi.org/10.1039/..
 
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5

Modeling Zeta Potential for Nanoparticles in Solution: Wate..:

Siani, Paulo ; Frigerio, Giulia ; Donadoni, Edoardo.
The Journal of Physical Chemistry C.  127 (2023)  19 - p. 9236-9247 , 2023
Link: https://doi.org/10.1021/..
 
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6

Molecular Dynamics for the Optimal Design of Functionalized..:

Donadoni, Edoardo ; Frigerio, Giulia ; Siani, Paulo...
ACS Biomaterials Science & Engineering.  9 (2023)  11 - p. 6123-6137 , 2023
Link: https://doi.org/10.1021/..
 
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7

Effect of dopamine-functionalization, charge and pH on prot..:

Siani, Paulo ; Di Valentin, Cristiana
Nanoscale.  14 (2022)  13 - p. 5121-5137 , 2022
Link: https://doi.org/10.1039/..
 
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8

Multi-scale modeling of folic acid-functionalized TiO2nanop..:

Donadoni, Edoardo ; Siani, Paulo ; Frigerio, Giulia.
Nanoscale.  14 (2022)  33 - p. 12099-12116 , 2022
Link: https://doi.org/10.1039/..
 
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9

Molecular dynamics simulations of doxorubicin in sphingomye..:

Siani, Paulo ; Donadoni, Edoardo ; Ferraro, Lorenzo..
Biochimica et Biophysica Acta (BBA) - Biomembranes.  1864 (2022)  1 - p. 183763 , 2022
Link: https://doi.org/10.1016/..
 
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10

Molecular dynamics simulations of cRGD-conjugated PEGylated..:

Siani, Paulo ; Frigerio, Giulia ; Donadoni, Edoardo.
Journal of Colloid and Interface Science.  627 (2022)  - p. 126-141 , 2022
Link: https://doi.org/10.1016/..
 
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11

Parametrization of the Fe–Owater cross-interaction for a mo..:

Siani, Paulo ; Bianchetti, Enrico ; Liu, Hongsheng.
The Journal of Chemical Physics.  154 (2021)  3 - p. , 2021
Link: https://doi.org/10.1063/..
 
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12

Multiscale simulations of the hydration shells surrounding ..:

Liu, Hongsheng ; Siani, Paulo ; Bianchetti, Enrico..
Nanoscale.  13 (2021)  20 - p. 9293-9302 , 2021
Link: https://doi.org/10.1039/..
 
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13

Exploring the drug loading mechanism of photoactive inorgan..:

Motta, Stefano ; Siani, Paulo ; Levy, Andrea.
Nanoscale.  13 (2021)  30 - p. 13000-13013 , 2021
Link: https://doi.org/10.1039/..
 
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14

Dopamine-Decorated TiO2 Nanoparticles in Water: A QM/MM vs ..:

Siani, Paulo ; Motta, Stefano ; Ferraro, Lorenzo..
Journal of Chemical Theory and Computation.  16 (2020)  10 - p. 6560-6574 , 2020
Link: https://doi.org/10.1021/..
 
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15

Insight into the interface between Fe3O4 (001) surface and ..:

Liu, Hongsheng ; Bianchetti, Enrico ; Siani, Paulo.
The Journal of Chemical Physics.  152 (2020)  12 - p. , 2020
Link: https://doi.org/10.1063/..
 
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