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2019

Journal of Chemical Information and Modeling, 59-6:2930 – 2940, 2019 doi:10.1021/acs.jcim.9b00157

Post-Translational Regulation of CYP450s Metabolism As Revealed by All-Atoms Simulations of the Aromatase Enzyme

Ritacco Ida, Spinello Angelo, Ippoliti Emiliano, Magistrato Alessandra
Journal of Physical Chemistry C, 123-35:21651 – 21661, 2019 doi:10.1021/acs.jpcc.9b06900

Insight into the Influence of ZnO Defectivity on the Catalytic Generation of Environmentally Persistent Free Radicals in ZnO/SiO2 Systems

D'Arienzo Massimiliano, Mostoni Silvia, Crapanzano Roberta, Cepek Cinzia, Di Credico Barbara, Fasoli Mauro, Polizzi Stefano, Vedda Anna, Villa Irene, Scotti Roberto
Journal of the Royal Society Interface, 16-157, 2019 doi:10.1098/rsif.2019.0186

Anomalous water dynamics in brain: A combined diffusion magnetic resonance imaging and neutron scattering investigation

Natali F., Dolce C., Peters J., Stelletta C., Demé B., Ollivier J., Boehm M., Leduc G., Piazza I., Cupane A., Barbier E.L.
Physical Review Letters, 122-25, 2019 doi:10.1103/PhysRevLett.122.255901

Theory and Numerical Simulation of Heat Transport in Multicomponent Systems

Bertossa Riccardo, Grasselli Federico, Ercole Loris, Baroni Stefano
Chemical Physics, 524:92 – 100, 2019 doi:10.1016/j.chemphys.2019.04.029

Extensive stacking of DHI-like monomers as a model of out-of-plane complexity in eumelanin protomolecules: Chemical and structural sensitivity of optical absorption spectra

Molteni Elena, Cappellini Giancarlo, Onida Giovanni, Mula Guido
Advanced Functional Materials, 29-26, 2019 doi:10.1002/adfm.201900965

Surface Reconstruction Oxidation Mechanism and Stability of Cd3As2

Gao Junfeng, Cupolillo Anna, Nappini Silvia, Bondino Federica, Edla Raju, Fabio Vito, Sankar Raman, Zhang Yong-Wei, Chiarello Gennaro, Politano Antonio
Advanced Functional Materials, 29-18, 2019 doi:10.1002/adfm.201900438

Surface Instability and Chemical Reactivity of ZrSiS and ZrSiSe Nodal-Line Semimetals

Boukhvalov Danil W., Edla Raju, Cupolillo Anna, Fabio Vito, Sankar Raman, Zhu Yanglin, Mao Zhiqiang, Hu Jin, Torelli Piero, Chiarello Gennaro, Ottaviano Luca, Politano Antonio
Catalysts, 9-8, 2019 doi:10.3390/catal9080659

In-situ quantification of nanoparticles oxidation: A fixed energy X-ray absorption approach

Berretti Enrico, Giaccherini Andrea, Montegrossi Giordano, D’acapito Francesco, Di Benedetto Francesco, Zafferoni Claudio, Puri Alessandro, Lepore Giovanni Orazio, Miller Hamish, Giurlani Walter, Innocenti Massimo, Vizza Francesco, Lavacchi Alessandro
Journal of Structural Biology, 206-3:267 – 279, 2019 doi:10.1016/j.jsb.2019.03.004

Understanding the mechanistic basis of non-coding RNA through molecular dynamics simulations

Palermo Giulia, Casalino Lorenzo, Magistrato Alessandra, Andrew McCammon J.
Journal of Synchrotron Radiation, 26:1503 – 1513, 2019 doi:10.1107/S1600577519010099

Focal shift induced by source displacements and optical figure errors

Manfredda Michele, Raimondi Lorenzo, Mahne Nicola, Zangrando Marco
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