| Computational methods for the identification of molecular targets of toxic food additives. Butylated hydroxytoluene as a case study V Tortosa, V Pietropaolo, V Brandi, G Macari, A Pasquadibisceglie, ... Molecules 25 (9), 2229, 2020 | 29 | 2020 |
| DockingApp RF: a state-of-the-art novel scoring function for molecular docking in a user-friendly interface to AutoDock Vina G Macari, D Toti, A Pasquadibisceglie, F Polticelli International Journal of Molecular Sciences 21 (24), 9548, 2020 | 27 | 2020 |
| Contaminations in (meta) genome data: An open issue for the scientific community G De Simone, A Pasquadibisceglie, R Proietto, F Polticelli, S Aime, ... IUBMB life 72 (4), 698-705, 2020 | 16 | 2020 |
| Binding of direct oral anticoagulants to the FA1 site of human serum albumin G De Simone, A Pasquadibisceglie, A di Masi, V Buzzelli, V Trezza, ... Journal of Molecular Recognition 34 (3), e2877, 2021 | 11 | 2021 |
| A computational study of the structure and function of human Zrt and Irt-like proteins metal transporters: An elevator-type transport mechanism predicted by AlphaFold2 A Pasquadibisceglie, A Leccese, F Polticelli Frontiers in Chemistry 10, 1004815, 2022 | 10 | 2022 |
| Membrane Transporters Involved in Iron Trafficking: Physiological and Pathological Aspects A Pasquadibisceglie, MC Bonaccorsi di Patti, G Musci, F Polticelli Biomolecules 13 (8), 1172, 2023 | 9 | 2023 |
| Neonicotinoid trapping by the FA1 site of human serum albumin L Leboffe, A di Masi, V Trezza, A Pasquadibisceglie, G Macari, F Polticelli, ... IUBMB life 72 (4), 716-723, 2020 | 9 | 2020 |
| Structural determinants of ligands recognition by the human mitochondrial basic amino acids transporter SLC25A29. Insights from molecular dynamics simulations of the c-state A Pasquadibisceglie, F Polticelli Computational and Structural Biotechnology Journal 19, 5600-5612, 2021 | 7 | 2021 |
| Cannabidiol and positive effects on object recognition memory in an in vivo model of Fragile X Syndrome: obligatory role of hippocampal GPR55 receptors A Manduca, V Buzzelli, A Rava, A Feo, E Carbone, S Schiavi, B Peruzzi, ... Pharmacological Research, 107176, 2024 | 5 | 2024 |
| In Silico Analysis of the Structural Dynamics and Substrate Recognition Determinants of the Human Mitochondrial Carnitine/Acylcarnitine SLC25A20 Transporter A Pasquadibisceglie, V Quadrotta, F Polticelli International Journal of Molecular Sciences 24 (4), 3946, 2023 | 5 | 2023 |
| Dynamical Behavior of the Human Ferroportin Homologue from Bdellovibrio bacteriovorus: Insight into the Ligand Recognition Mechanism V Tortosa, MC Bonaccorsi di Patti, F Iacovelli, A Pasquadibisceglie, ... International Journal of Molecular Sciences 21 (18), 6785, 2020 | 5 | 2020 |
| Anti-haemostatic compounds from the vampire snail Cumia reticulata: Molecular cloning and in-silico structure-function analysis MV Modica, JR Sánchez, A Pasquadibisceglie, M Oliverio, P Mariottini, ... Computational Biology and Chemistry 75, 168-177, 2018 | 5 | 2018 |
| Haptoglobin and the related haptoglobin protein: the N-terminus makes the difference G De Simone, A Pasquadibisceglie, F Polticelli, A di Masi, P Ascenzi Journal of Biomolecular Structure and Dynamics 40 (5), 2244-2253, 2022 | 4 | 2022 |
| Uncovering the structure and function of Pseudomonas aeruginosa periplasmic proteins by an in silico approach S Caprari, V Brandi, A Pasquadibisceglie, F Polticelli Journal of Biomolecular Structure and Dynamics 38 (15), 4508-4520, 2020 | 3 | 2020 |
| Nitric oxide binding to ferrous nitrobindins: A computer simulation investigation A Messias, A Pasquadibisceglie, DA de Armiño, G De Simone, F Polticelli, ... Journal of Inorganic Biochemistry 248, 112336, 2023 | 2 | 2023 |
| Computational studies of the mitochondrial carrier family SLC25. Present status and future perspectives A Pasquadibisceglie, F Polticelli Bio-Algorithms and Med-Systems 17 (2), 65-78, 2021 | 2 | 2021 |
| Kinetic inequivalence between α and β subunits of ligand dissociation from ferrous nitrosylated human haptoglobin: hemoglobin complexes. A comparison with O2 and CO dissociation P Ascenzi, G De Simone, A Pasquadibisceglie, M Gioia, M Coletta Journal of Inorganic Biochemistry 214, 111272, 2021 | 2 | 2021 |
| Nitrobindin versus myoglobin: A comparative structural and functional study G De Simone, A di Masi, A Pasquadibisceglie, A Coletta, F Sebastiani, ... Journal of Inorganic Biochemistry 250, 112387, 2024 | 1 | 2024 |
| Understanding membrane transporters: from structure to function A Pasquadibisceglie, MC Bonaccorsi Di Patti, DV Miniero, G Musci, ... Frontiers in Molecular Biosciences 10, 1323824, 2023 | 1 | 2023 |
| INTERACCIÓN DE LA PROTEÍNA NITROBINDINA CON ÓXIDO NÍTRICO A Messias, A Pasquadibisceglie, G De Simone, A Di Masi, A Zeida, ... Libro de Resúmenes XXIII CAFQI, 2023 | | 2023 |
