Serine O-sulfation probed by IRMPD spectroscopy R Paciotti, C Coletti, N Re, D Scuderi, B Chiavarino, S Fornarini, ... Physical Chemistry Chemical Physics 17 (39), 25891-25904, 2015 | 35 | 2015 |
Selective acetamidine-based nitric oxide synthase inhibitors: synthesis, docking, and biological studies C Maccallini, M Montagnani, R Paciotti, A Ammazzalorso, B De Filippis, ... ACS Medicinal Chemistry Letters 6 (6), 635-640, 2015 | 29 | 2015 |
Cisplatin and transplatin interaction with methionine: bonding motifs assayed by vibrational spectroscopy in the isolated ionic complexes R Paciotti, D Corinti, A De Petris, A Ciavardini, S Piccirillo, C Coletti, N Re, ... Physical Chemistry Chemical Physics 19 (39), 26697-26707, 2017 | 28 | 2017 |
Reactions of cisplatin and cis-[PtI2 (NH3) 2] with molecular models of relevant protein sidechains: A comparative analysis I Tolbatov, T Marzo, D Cirri, C Gabbiani, C Coletti, A Marrone, R Paciotti, ... Journal of inorganic biochemistry 209, 111096, 2020 | 25 | 2020 |
Short-lived intermediates (encounter complexes) in cisplatin ligand exchange elucidated by infrared ion spectroscopy D Corinti, C Coletti, N Re, R Paciotti, P Maître, B Chiavarino, ME Crestoni, ... International Journal of Mass Spectrometry 435, 7-17, 2019 | 21 | 2019 |
Insights on the activity of platinum-based anticancer complexes through computational methods R Paciotti, I Tolbatov, V Graziani, A Marrone, N Re, C Coletti AIP conference proceedings 2040 (1), 2018 | 21 | 2018 |
Computational investigations of bioinorganic complexes: the case of calcium, gold and platinum ions R Paciotti, I Tolbatov, A Marrone, L Storchi, N Re, C Coletti AIP Conference Proceedings 2186 (1), 2019 | 20 | 2019 |
Multilayered modelling of the metallation of biological targets I Tolbatov, A Marrone, R Paciotti, N Re, C Coletti Computational Science and Its Applications–ICCSA 2021: 21st International …, 2021 | 18 | 2021 |
Dual carbonic anhydrase IX/XII inhibitors and carbon monoxide releasing molecules modulate LPS-mediated inflammation in mouse macrophages E Berrino, S Carradori, A Angeli, F Carta, CT Supuran, P Guglielmi, ... Antioxidants 10 (1), 56, 2021 | 16 | 2021 |
Characterization of PD-L1 binding sites by a combined FMO/GRID-DRY approach R Paciotti, M Agamennone, C Coletti, L Storchi Journal of computer-aided molecular design 34, 897-914, 2020 | 15 | 2020 |
Binding motifs of cisplatin interaction with simple biomolecules and aminoacid targets probed by IR ion spectroscopy D Corinti, R Paciotti, N Re, C Coletti, B Chiavarino, ME Crestoni, ... Pure and Applied Chemistry 92 (1), 3-13, 2020 | 15 | 2020 |
Recent developments of amidine-like compounds as selective NOS inhibitors N Re, M Fantacuzzi, C Maccallini, R Paciotti, R Amoroso Current Enzyme Inhibition 12 (1), 30-39, 2016 | 15 | 2016 |
An insight of early PrP‐E200K aggregation by combined molecular dynamics/fragment molecular orbital approaches R Paciotti, L Storchi, A Marrone Proteins: Structure, Function, and Bioinformatics 87 (1), 51-61, 2019 | 14 | 2019 |
Investigation of the molecular similarity in closely related protein systems: The P r P case study L Storchi, R Paciotti, N Re, A Marrone Proteins: Structure, Function, and Bioinformatics 83 (10), 1751-1765, 2015 | 14 | 2015 |
From preassociation to chelation: A survey of cisplatin interaction with methionine at molecular level by IR ion spectroscopy and computations R Paciotti, D Corinti, P Maitre, C Coletti, N Re, B Chiavarino, ME Crestoni, ... Journal of the American Society for Mass Spectrometry 32 (8), 2206-2217, 2021 | 7 | 2021 |
AIP Conference Proceedings R Paciotti, I Tolbatov, A Marrone, L Storchi, N Re, C Coletti American Institute of Physics, New York, 1989 | 6 | 1989 |
Homodimeric complexes of the 90–231 human prion: a multilayered computational study based on FMO/GRID-DRY approach R Paciotti, L Storchi, A Marrone Journal of Molecular Modeling 28 (8), 241, 2022 | 5 | 2022 |
The FMO2 analysis of the ligand-receptor binding energy: the Biscarbene-Gold (I)/DNA G-Quadruplex case study R Paciotti, C Coletti, A Marrone, N Re Journal of Computer-Aided Molecular Design 36 (12), 851-866, 2022 | 4 | 2022 |
Elusive intermediates in cisplatin reaction with target amino acids: platinum (II)-cysteine complexes assayed by IR ion spectroscopy and DFT calculations D Corinti, R Paciotti, C Coletti, N Re, B Chiavarino, ME Crestoni, ... Journal of Inorganic Biochemistry 237, 112017, 2022 | 4 | 2022 |
Hampering the early aggregation of PrP-E200K protein by charge-based inhibitors: a computational study M Agamennone, L Storchi, A Marrone, R Paciotti Journal of Computer-Aided Molecular Design 35 (6), 751-770, 2021 | 4 | 2021 |