Detalhe da pesquisa
1.
Parametrization of the Fe-Owater cross-interaction for a more accurate Fe3O4/water interface model and its application to a spherical Fe3O4 nanoparticle of realistic size.
J Chem Phys;
154(3): 034702, 2021 Jan 21.
Artigo
em Inglês
| MEDLINE
| ID: mdl-33499628
2.
Insight into the interface between Fe3O4 (001) surface and water overlayers through multiscale molecular dynamics simulations.
J Chem Phys;
152(12): 124711, 2020 Mar 31.
Artigo
em Inglês
| MEDLINE
| ID: mdl-32241149
3.
The effect of polymer coating on nanoparticles' interaction with lipid membranes studied by coarse-grained molecular dynamics simulations.
Nanoscale;
16(18): 9108-9122, 2024 May 09.
Artigo
em Inglês
| MEDLINE
| ID: mdl-38646798
4.
Mechanism of RGD-conjugated nanodevice binding to its target protein integrin αVß3 by atomistic molecular dynamics and machine learning.
Nanoscale;
16(8): 4063-4081, 2024 Feb 22.
Artigo
em Inglês
| MEDLINE
| ID: mdl-38334981
5.
Modeling Zeta Potential for Nanoparticles in Solution: Water Flexibility Matters.
J Phys Chem C Nanomater Interfaces;
127(19): 9236-9247, 2023 May 18.
Artigo
em Inglês
| MEDLINE
| ID: mdl-37223652
6.
Metadynamics simulations for the investigation of drug loading on functionalized inorganic nanoparticles.
Nanoscale;
15(17): 7909-7919, 2023 May 04.
Artigo
em Inglês
| MEDLINE
| ID: mdl-37066796
7.
Molecular Dynamics for the Optimal Design of Functionalized Nanodevices to Target Folate Receptors on Tumor Cells.
ACS Biomater Sci Eng;
9(11): 6123-6137, 2023 11 13.
Artigo
em Inglês
| MEDLINE
| ID: mdl-37831005
8.
Effect of dopamine-functionalization, charge and pH on protein corona formation around TiO2 nanoparticles.
Nanoscale;
14(13): 5121-5137, 2022 Mar 31.
Artigo
em Inglês
| MEDLINE
| ID: mdl-35302136
9.
Multi-scale modeling of folic acid-functionalized TiO2 nanoparticles for active targeting of tumor cells.
Nanoscale;
14(33): 12099-12116, 2022 Aug 25.
Artigo
em Inglês
| MEDLINE
| ID: mdl-35959762
10.
Molecular dynamics simulations of cRGD-conjugated PEGylated TiO2 nanoparticles for targeted photodynamic therapy.
J Colloid Interface Sci;
627: 126-141, 2022 Dec.
Artigo
em Inglês
| MEDLINE
| ID: mdl-35842963
11.
Molecular dynamics simulations of doxorubicin in sphingomyelin-based lipid membranes.
Biochim Biophys Acta Biomembr;
1864(1): 183763, 2022 02 01.
Artigo
em Inglês
| MEDLINE
| ID: mdl-34506799
12.
Multiscale simulations of the hydration shells surrounding spherical Fe3O4 nanoparticles and effect on magnetic properties.
Nanoscale;
13(20): 9293-9302, 2021 May 27.
Artigo
em Inglês
| MEDLINE
| ID: mdl-33983352
13.
Exploring the drug loading mechanism of photoactive inorganic nanocarriers through molecular dynamics simulations.
Nanoscale;
13(30): 13000-13013, 2021 Aug 14.
Artigo
em Inglês
| MEDLINE
| ID: mdl-34477783
14.
Dopamine-Decorated TiO2 Nanoparticles in Water: A QM/MM vs an MM Description.
J Chem Theory Comput;
16(10): 6560-6574, 2020 Oct 13.
Artigo
em Inglês
| MEDLINE
| ID: mdl-32880452
15.
Parallel damage in mitochondria and lysosomes is an efficient way to photoinduce cell death.
Autophagy;
15(2): 259-279, 2019 02.
Artigo
em Inglês
| MEDLINE
| ID: mdl-30176156