PACIOTTI, ROBERTO

PACIOTTI, ROBERTO  

DIPARTIMENTO DI FARMACIA  

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Titolo Data di pubblicazione Autore(i) File
A Comprehensive Computational Insight into the PD-L1 Binding to PD-1 and Small Molecules 2024 Fantacuzzi, Marialuigia; Paciotti, Roberto; Agamennone, Mariangela
A computational insight on the aromatic amino acids conjugation with [Cp*Rh(H2O)3]2+ by using the meta-dynamics/FMO3 approach 2024 Paciotti, Roberto; Marrone, Alessandro
An insight of early PrP-E200K aggregation by combined molecular dynamics/fragment molecular orbital approaches 2019 Paciotti, Roberto; Storchi, Loriano; Marrone, Alessandro
Binding motifs of cisplatin interaction with simple biomolecules and aminoacid targets probed by IR ion spectroscopy 2020 Corinti, D.; Paciotti, R.; Re, N.; Coletti, C.; Chiavarino, B.; Crestoni, M. E.; Fornarini, S.
Carbon Monoxide Release from Aryl-Propargyl Dicobalt(0)Hexacarbonyl Derivatives: A Computational and Experimental Study 2024 Paciotti, Roberto; Coletti, Cecilia; Berrino, Emanuela; Arrighi, Francesca; Maccelli, Alessandro; Lasalvia, Alba; Crestoni, Maria Elisa; Secci, Daniela; Carradori, Simone; Supuran, Claudiu T.; Carta, Fabrizio
Characterization of PD-L1 binding sites by a combined FMO/GRID-DRY approach 2020 Paciotti, R.; Agamennone, M.; Coletti, C.; Storchi, L.
Cisplatin and transplatin interaction with methionine: Bonding motifs assayed by vibrational spectroscopy in the isolated ionic complexes 2017 Paciotti, Roberto; Corinti, Davide; De Petris, Alberto; Ciavardini, Alessandra; Piccirillo, Susanna; Coletti, Cecilia; Re, Nazzareno; Maitre, Philippe; Bellina, Bruno; Barran, Perdita; Chiavarino, Barbara; Crestoni, Maria Elisa; Fornarini, Simonetta
Combining the Fragment Molecular Orbital and GRID Approaches for the Prediction of Ligand–Metalloenzyme Binding Affinity: The Case Study of hCA II Inhibitors 2024 Paciotti, Roberto; Re, Nazzareno; Storchi, Loriano
Computational Investigation of IR Spectra of Electrospray Ionized Biomolecules 2013 Paciotti, Roberto; Coletti, Cecilia; Re, Nazzareno; Crestoni, M. E.; Fornarini, S.
Computational investigations of bioinorganic complexes: The case of calcium, gold and platinum ions 2019 Paciotti, R.; Tolbatov, I.; Marrone, A.; Storchi, L.; Re, N.; Coletti, C.
Dual carbonic anhydrase ix/xii inhibitors and carbon monoxide releasing molecules modulate LPS-mediated inflammation in mouse macrophages 2021 Berrino, E.; Carradori, S.; Angeli, A.; Carta, F.; Supuran, C. T.; Guglielmi, P.; Coletti, C.; Paciotti, R.; Schweikl, H.; Maestrelli, F.; Cerbai, E.; Gallorini, M.
Effects of Geranyloxycinnamic Acids on COX-2 and iNOS Functionalities in LPS-Stimulated U937 Mononuclear Cells 2016 Genovese, Salvatore; Fiorito, Serena; Taddeo, VITO ALESSANDRO; Epifano, Francesco; Paciotti, Roberto; Coletti, Cecilia; Franceschelli, Sara; Speranza, Lorenza; Ferrone, Alessio; Felaco, Mario; Patruno, Antonia
Elusive intermediates in cisplatin reaction with target amino acids: Platinum(II)-cysteine complexes assayed by IR ion spectroscopy and DFT calculations 2022 Corinti, D.; Paciotti, R.; Coletti, C.; Re, N.; Chiavarino, B.; Crestoni, M. E.; Fornarini, S.
From Preassociation to Chelation: A Survey of Cisplatin Interaction with Methionine at Molecular Level by IR Ion Spectroscopy and Computations 2021 Paciotti, R.; Corinti, D.; Maitre, P.; Coletti, C.; Re, N.; Chiavarino, B.; Crestoni, M. E.; Fornarini, S.
Hampering the early aggregation of PrP-E200K protein by charge-based inhibitors: a computational study 2021 Agamennone, M.; Storchi, L.; Marrone, A.; Paciotti, R.
Homodimeric complexes of the 90-231 human prion: a multilayered computational study based on FMO/GRID-DRY approach 2022 Paciotti, Roberto; Storchi, Loriano; Marrone, Alessandro
Improving the accuracy of the FMO binding affinity prediction of ligand-receptor complexes containing metals 2023 Paciotti, R.; Marrone, A.; Coletti, C.; Re, N.
Insights on the activity of platinum-based anticancer complexes through computational methods 2018 Paciotti, Roberto; Tolbatov, Iogann; Graziani, Valentina; Marrone, Alessandro; Re, Nazzareno; Coletti, Cecilia
Investigation of the molecular similarity in closely related protein systems: The PrP case study 2015 Storchi, Loriano; Paciotti, Roberto; Re, Nazzareno; Marrone, Alessandro
IRMPD spectroscopy and quantum-chemical simulations of the reaction products of cisplatin with the dipeptide CysGly 2023 Corinti, D.; Paciotti, R.; Coletti, C.; Re, N.; Chiavarino, B.; Frison, G.; Crestoni, M. E.; Fornarini, S.