Pietro Giacinto, Andrea Bottoni, Andrea Garelli, Gian Pietro Miscione, Marco Bandini, Covalent or Non-Covalent? A Mechanistic Insight into the Enantioselective Brønsted Acid Catalyzed Dearomatization of Indoles with Allenamides, «CHEMCATCHEM», 2018, 10, pp. 2442 - 2449 [Scientific article]Open Access
Matteo Di Giosia, Francesco Valle, Andrea Cantelli, Andrea Bottoni, Francesco Zerbetto, Matteo Calvaresi, C60bioconjugation with proteins: Towards a palette of carriers for all pH ranges, «MATERIALS», 2018, 11, Article number: 691 , pp. 691 - 701 [Scientific article]Open Access
Marco Dallavalle, Andrea Bottoni, Matteo Calvaresi, Francesco Zerbetto, Functionalization Pattern of Graphene Oxide Sheets Controls Entry or Produces Lipid Turmoil in Phospholipid Membranes, «ACS APPLIED MATERIALS & INTERFACES», 2018, 10, pp. 15487 - 15493 [Scientific article]Open Access
Laura Favaretto, Juzeng An, Marco Sambo, Assunta De Nisi, Cristian Bettini, Manuela Melucci, Alessandro Kovtun, Andrea Liscio, Vincenzo Palermo, Andrea Bottoni, Francesco Zerbetto, Matteo Calvaresi, Marco Bandini, Graphene Oxide Promotes Site-Selective Allylic Alkylation of Thiophenes with Alcohols, «ORGANIC LETTERS», 2018, 20, pp. 3705 - 3709 [Scientific article]Open Access
Bologna, Fabio; Mattioli, Edoardo Jun; Bottoni, Andrea; Zerbetto, Francesco; Calvaresi, Matteo*, Interactions between Endohedral Metallofullerenes and Proteins: The Gd@C60-Lysozyme Model, «ACS OMEGA», 2018, 3, pp. 13782 - 13789 [Scientific article]
Matteo Di Giosia, Paul H. H. Bomans, Andrea Bottoni, Andrea Cantelli, Giuseppe Falini, Paola Franchi, Giuseppe Guarracino, Heiner Friedrich, Marco Lucarini, Francesco Paolucci, Stefania Rapino, Nico A. J. M. Sommerdijk, Alice Soldà, Francesco Valle, Francesco Zerbetto, Matteo Calvaresi, Proteins as supramolecular hosts for C60: A true solution of C60in water, «NANOSCALE», 2018, 10, pp. 9908 - 9916 [Scientific article]Open Access
Marforio, Tainah Dorina; Bottoni, Andrea; Giacinto, Pietro; Zerbetto, Francesco; Calvaresi, Matteo, Aromatic Bromination of N-Phenylacetamide Inside CNTs. Are CNTs Real Nanoreactors Controlling Regioselectivity and Kinetics? A QM/MM Investigation, «JOURNAL OF PHYSICAL CHEMISTRY. C», 2017, 121, pp. 27674 - 27682 [Scientific article]
Trozzi, Francesco; Marforio, Tainah Dorina; Bottoni, Andrea; Zerbetto, Francesco; Calvaresi, Matteo, Engineering the Fullerene-protein Interface by Computational Design: The Sum is More than its Parts, «ISRAEL JOURNAL OF CHEMISTRY», 2017, 57, pp. 547 - 552 [Scientific article]Open Access
Bottoni, Andrea; Cahiez, Gerard; Calvaresi, Matteo; Moyeux, Alban; Giacinto, Pietro; Miscione, Gian Pietro, A mechanistic insights into manganese-catalyzed oxidative homocoupling reactions of Grignard reagents: A computational DFT investigation, «JOURNAL OF ORGANOMETALLIC CHEMISTRY», 2016, 814, pp. 25 - 34 [Scientific article]
Giacinto, Pietro; Zerbetto, Francesco; Bottoni, Andrea; Calvaresi, Matteo, CNT-Confinement Effects on the Menshutkin SN2 Reaction: The Role of Nonbonded Interactions, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2016, 12, pp. 4082 - 4092 [Scientific article]
Marforio, Tainah Dorina; Bottoni, Andrea; Calvaresi, Matteo; Fabbri, Daniele; Giacinto, Pietro; Zerbetto, Francesco, The Reaction Pathway of Cellulose Pyrolysis to a Multifunctional Chiral Building Block: The Role of Water Unveiled by a DFT Computational Investigation, «CHEMPHYSCHEM», 2016, 17, pp. 3948 - 3953 [Scientific article]
Zaffagnini, Mirko; Fermani, Simona; Calvaresi, Matteo; Orrù, Roberto; Iommarini, Luisa; Sparla, Francesca; Falini, Giuseppe; Bottoni, Andrea; Trost, Paolo, TUNING CYSTEINE REACTIVITY AND SULFENIC ACID STABILITY BY PROTEIN MICROENVIRONMENT IN GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASES OF ARABIDOPSIS THALIANA, «ANTIOXIDANTS & REDOX SIGNALING», 2016, 24, pp. 502 - 517 [Scientific article]Open Access
Bottoni, Andrea; Calvaresi, Matteo; Cosimelli, Barbara; Mazzanti, Andrea; Rambaldi, Mirella; Spinelli, Domenico, An Unexpected Pathway to Enantiomerization of Hemithioketals in Toluene Involving a Dimeric Transition State: A Combined Experimental and Computational Study, «EUROPEAN JOURNAL OF ORGANIC CHEMISTRY», 2015, 20, pp. 4353 - 4357 [Scientific article]
Calvaresi M; Furini S; Domene C; Bottoni A; Zerbetto F., Blocking the passage: C60 geometrically clogs K+ channels, «ACS NANO», 2015, 9, pp. 4827 - 4834 [Scientific article]Open Access
Magnabosco, G.; Di Giosia, M.; Polishchuk, I.; Weber, E.; Fermani, S.; Bottoni, A.; Zerbetto, F.; Pelicci, P.G.; Pokroy, B.; Rapino, S.; Falini, G.; Calvaresi, M., Calcite Single Crystals as Hosts for Atomic-Scale Entrapment and Slow Release of Drugs, «ADVANCED HEALTHCARE MATERIALS», 2015, 4, pp. 1510 - 1516 [Scientific article]
