Metastable exohedrally decorated Borospherene B(40)

por Saha, Santanu, Genovese, Luigi, Goedecker, Stefan
Publicado 2017

Transition-Based Constrained DFT for the Robust and Reliable Treatment of Excitations in Supramolecular Systems

por Stella, Martina, Thapa, Kritam, Genovese, Luigi, Ratcliff, Laura E.
Publicado 2022

Probing the mutational landscape of the SARS-CoV-2 spike protein via quantum mechanical modeling of crystallographic structures

por Zaccaria, Marco, Genovese, Luigi, Dawson, William, Cristiglio, Viviana, Nakajima, Takahito, Johnson, Welkin, Farzan, Michael, Momeni, Babak
Publicado 2022

Static Polarizabilities at the Basis Set Limit: A Benchmark of 124 Species

por Brakestad, Anders, Jensen, Stig Rune, Wind, Peter, D’Alessandro, Marco, Genovese, Luigi, Hopmann, Kathrin Helen, Frediani, Luca
Publicado 2020

Direct observation of single organic molecules grafted on the surface of a silicon nanowire

por Puglisi, Rosaria A., Caccamo, Sebastiano, Bongiorno, Corrado, Fisicaro, Giuseppe, Genovese, Luigi, Goedecker, Stefan, Mannino, Giovanni, La Magna, Antonino
Publicado 2019

Biochemical and Phylogenetic Analysis of Italian Phaseolus vulgaris Cultivars as Sources of α-Amylase and α-Glucosidase Inhibitors

por Peddio, Stefania, Lorrai, Sonia, Padiglia, Alessandra, Cannea, Faustina B., Dettori, Tinuccia, Cristiglio, Viviana, Genovese, Luigi, Zucca, Paolo, Rescigno, Antonio
Publicado 2023

Experimental–theoretical study of laccase as a detoxifier of aflatoxins

por Zaccaria, Marco, Dawson, William, Russel Kish, Darius, Reverberi, Massimo, Bonaccorsi di Patti, Maria Carmela, Domin, Marek, Cristiglio, Viviana, Chan, Bun, Dellafiora, Luca, Gabel, Frank, Nakajima, Takahito, Genovese, Luigi, Momeni, Babak
Publicado 2023

Discovery of SARS-CoV-2 M(pro) peptide inhibitors from modelling substrate and ligand binding

por Chan, H. T. Henry, Moesser, Marc A., Walters, Rebecca K., Malla, Tika R., Twidale, Rebecca M., John, Tobias, Deeks, Helen M., Johnston-Wood, Tristan, Mikhailov, Victor, Sessions, Richard B., Dawson, William, Salah, Eidarus, Lukacik, Petra, Strain-Damerell, Claire, Owen, C. David, Nakajima, Takahito, Świderek, Katarzyna, Lodola, Alessio, Moliner, Vicent, Glowacki, David R., Spencer, James, Walsh, Martin A., Schofield, Christopher J., Genovese, Luigi, Shoemark, Deborah K., Mulholland, Adrian J., Duarte, Fernanda, Morris, Garrett M.
Publicado 2021