Siani P - Search Results

1

Modeling Zeta Potential for Nanoparticles in Solution: Water Flexibility Matters.

Siani P, Frigerio G, Donadoni E, Di Valentin C. Siani P, et al. 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.

2

An overview of molecular dynamics simulations of oxidized lipid systems, with a comparison of ELBA and MARTINI force fields for coarse grained lipid simulations.

Siani P, de Souza RM, Dias LG, Itri R, Khandelia H. Siani P, et al. Biochim Biophys Acta. 2016 Oct;1858(10):2498-2511. doi: 10.1016/j.bbamem.2016.03.031. Epub 2016 Apr 6. Biochim Biophys Acta. 2016. PMID: 27058982 Free article. Review.

3

Parallel damage in mitochondria and lysosomes is an efficient way to photoinduce cell death.

Martins WK, Santos NF, Rocha CS, Bacellar IOL, Tsubone TM, Viotto AC, Matsukuma AY, Abrantes ABP, Siani P, Dias LG, Baptista MS. Martins WK, et al. Among authors: siani p. Autophagy. 2019 Feb;15(2):259-279. doi: 10.1080/15548627.2018.1515609. Epub 2018 Sep 25. Autophagy. 2019. PMID: 30176156 Free PMC article.

4

Parameterization of a coarse-grained model of cholesterol with point-dipole electrostatics.

Siani P, Khandelia H, Orsi M, Dias LG. Siani P, et al. J Comput Aided Mol Des. 2018 Nov;32(11):1259-1271. doi: 10.1007/s10822-018-0164-4. Epub 2018 Sep 26. J Comput Aided Mol Des. 2018. PMID: 30259387

5

Insight into the interface between Fe₃O₄ (001) surface and water overlayers through multiscale molecular dynamics simulations.

Liu H, Bianchetti E, Siani P, Di Valentin C. Liu H, et al. Among authors: siani p. J Chem Phys. 2020 Mar 31;152(12):124711. doi: 10.1063/1.5140268. J Chem Phys. 2020. PMID: 32241149

6

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

Siani P, Motta S, Ferraro L, Dohn AO, Di Valentin C. Siani P, et al. J Chem Theory Comput. 2020 Oct 13;16(10):6560-6574. doi: 10.1021/acs.jctc.0c00483. Epub 2020 Sep 17. J Chem Theory Comput. 2020. PMID: 32880452 Free PMC article.

7

Parametrization of the Fe-O_water cross-interaction for a more accurate Fe₃O₄/water interface model and its application to a spherical Fe₃O₄ nanoparticle of realistic size.

Siani P, Bianchetti E, Liu H, Di Valentin C. Siani P, et al. J Chem Phys. 2021 Jan 21;154(3):034702. doi: 10.1063/5.0035678. J Chem Phys. 2021. PMID: 33499628

8

Multiscale simulations of the hydration shells surrounding spherical Fe₃O₄ nanoparticles and effect on magnetic properties.

Liu H, Siani P, Bianchetti E, Zhao J, Di Valentin C. Liu H, et al. Among authors: siani p. Nanoscale. 2021 May 27;13(20):9293-9302. doi: 10.1039/d1nr01014j. Nanoscale. 2021. PMID: 33983352 Free PMC article.

9

Exploring the drug loading mechanism of photoactive inorganic nanocarriers through molecular dynamics simulations.

Motta S , Siani P , Levy A , Di Valentin C . Motta S , et al. Among authors: siani p. Nanoscale. 2021 Aug 14;13(30):13000-13013. doi: 10.1039/d1nr01972d. Epub 2021 Jul 21. Nanoscale. 2021. PMID: 34477783 Free PMC article.

10

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. 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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