2020
Lodesani, F.; Menziani, M.C.; Hijiaya, H.; Takato, Y.; Urata, S.; Pedone, A. Structural Origins of the Mixed Alkali Effect in Alkali Aluminosilicate Glasses: Molecular Dynamics Study and its Assessment. Scientific Reports 2020, 10, 1-18. https://doi.org/10.1038/s41598-020-59875-7
Lodesani, F.; Menziani, M.C.; Maeda, K; Takato, Y; Urata, S.; Pedone, A. Disclosing crystal nucleation mechanism in lithium disilicate glass through molecular dynamics simulations and free-energy calculations. Scientific reports, 2020, 10 (1), 1-14. https://doi.org/10.1038/s41598-020-74764-9
F Tavanti, A Pedone, MC Menziani, A Alexander-Katz Computational insights into the binding of monolayer-capped gold nanoparticles onto Amyloid-β fibrils ACS Chemical Neuroscience, 2020, 11 (19), 3153-3160. https://doi.org/10.1021/acschemneuro.0c00497
Nicholas Stone-Weiss, Henrik Bradtmüller, Mariagrazia Fortino, Marco Bertani, Randall E Youngman, Alfonso Pedone, Hellmut Eckert, Ashutosh Goel Combined Experimental and Computational Approach toward the Structural Design of Borosilicate-Based Bioactive Glasses The Journal of Physical Chemistry C, 2020, 124, 17655-1767. https://doi.org/10.1021/acs.jpcc.0c04470
Cendrowska, U., Silva, P. J., Ait-Bouziad, N., Müller, M., Guven, Z. P., Vieweg, S., Chiki, A., Radamaker, L., Kumar, S. T., Fändrich, M., Tavanti, F., Menziani, M. C., Alexander-Katz, A., Stellacci, F., Lashuel, H. A. Unraveling the complexity of amyloid polymorphism using gold nanoparticles and cryo-EM. Proceedings of the National Academy of Sciences, 2020, 117(12), 6866-6874.
Francesco Tavanti, Alfonso Pedone, Maria Cristina Menziani Insights into the Effect of Curcumin and (–)-Epigallocatechin-3-Gallate on the Aggregation of Aβ (1–40) Monomers by Means of Molecular Dynamics International journal of molecular sciences, 2020, 21, 5462. https://doi.org/10.3390/ijms21155462
M Fortino, E Collini, A Pedone, J Bloino Role of specific solute–solvent interactions on the photophysical properties of distyryl substituted BODIPY derivatives Physical Chemistry Chemical Physics, 2020, 22, 10981-10994. DOI: 10.1039/D0CP00034E
Brugnoli, L., Pedone, A., Menziani, M. C., Adamo, C., Labat, F. O₂ Activation over Ag-Decorated CeO₂ (111) and TiO₂ (110) Surfaces: A Theoretical Comparative Investigation. The Journal of Physical Chemistry C, 2020, 124, 47, 25917-25930.
Tavanti, F., Pedone, A., Menziani, M. C. Disclosing the Interaction of Gold Nanoparticles with Aβ (1–40) Monomers through Replica Exchange Molecular Dynamics Simulations. International Journal of Molecular Sciences, 2020, 22(1), 26.