PACIOTTI, ROBERTO
PACIOTTI, ROBERTO
DIPARTIMENTO DI FARMACIA
A Comprehensive Computational Insight into the PD-L1 Binding to PD-1 and Small Molecules
2024-01-01 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
2024-01-01 Paciotti, Roberto; Marrone, Alessandro
An insight of early PrP-E200K aggregation by combined molecular dynamics/fragment molecular orbital approaches
2019-01-01 Paciotti, Roberto; Storchi, Loriano; Marrone, Alessandro
Binding motifs of cisplatin interaction with simple biomolecules and aminoacid targets probed by IR ion spectroscopy
2020-01-01 Corinti, D.; Paciotti, R.; Re, N.; Coletti, C.; Chiavarino, B.; Crestoni, M. E.; Fornarini, S.
Characterization of PD-L1 binding sites by a combined FMO/GRID-DRY approach
2020-01-01 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
2017-01-01 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
Computational Investigation of IR Spectra of Electrospray Ionized Biomolecules
2013-01-01 Paciotti, Roberto; Coletti, Cecilia; Re, Nazzareno; Crestoni, M. E.; Fornarini, S.
Computational investigations of bioinorganic complexes: The case of calcium, gold and platinum ions
2019-01-01 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
2021-01-01 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
2016-01-01 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
2022-01-01 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
2021-01-01 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
2021-01-01 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
2022-01-01 Paciotti, Roberto; Storchi, Loriano; Marrone, Alessandro
Improving the accuracy of the FMO binding affinity prediction of ligand-receptor complexes containing metals
2023-01-01 Paciotti, R.; Marrone, A.; Coletti, C.; Re, N.
Insights on the activity of platinum-based anticancer complexes through computational methods
2018-01-01 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
2015-01-01 Storchi, Loriano; Paciotti, Roberto; Re, Nazzareno; Marrone, Alessandro
IRMPD spectroscopy and quantum-chemical simulations of the reaction products of cisplatin with the dipeptide CysGly
2023-01-01 Corinti, D.; Paciotti, R.; Coletti, C.; Re, N.; Chiavarino, B.; Frison, G.; Crestoni, M. E.; Fornarini, S.
IRMPD Spectroscopy of Bare Monodeprotonated Genistein, an Antioxidant Flavonoid
2022-01-01 Paciotti, Roberto; Chiavarino, Barbara; Coletti, Cecilia; Scuderi, Debora; Re, Nazzareno; Corinti, Davide; Rotari, Lucretia; Fornarini, Simonetta; Crestoni, Maria Elisa
MD-DFT Computational Studies on the Mechanistic and Conformational Parameters for the Chemoselective Tyrosine Residue Reactions of G-Protein-Coupled Receptor Peptides with [Cp*Rh(H2O)(3)](OTf)(2 )in Water To Form Their [(?(6)-Cp*Rh-Tyr(#))-GPCR peptide](2+) Complexes: Noncovalent H-Bonding Interactions, Molecular Orbital Analysis, Thermodynamics, and Lowest Energy Conformations
2022-01-01 Paciotti, R; Fish, Rh; Marrone, A