Strigolactones, from Plants to Human Health: Achievements and Challenges von Dell’Oste, Valentina, Spyrakis, Francesca, Prandi, Cristina

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The Roles of Water in the Protein Matrix: A Largely Untapped Resource for Drug Discovery von Spyrakis, Francesca, Ahmed, Mostafa H, Bayden, Alexander S, Cozzini, Pietro, Mozzarelli, Andrea, Kellogg, Glen E

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Binding of Androgen- and Estrogen-Like Flavonoids to Their Cognate (Non)Nuclear Receptors: A Comparison by Computational Prediction von D'Arrigo, Giulia, Gianquinto, Eleonora, Rossetti, Giulia, Cruciani, Gabriele, Lorenzetti, Stefano, Spyrakis, Francesca

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Iron Metabolism at the Interface between Host and Pathogen: From Nutritional Immunity to Antibacterial Development von Marchetti, Marialaura, De Bei, Omar, Bettati, Stefano, Campanini, Barbara, Kovachka, Sandra, Gianquinto, Eleonora, Spyrakis, Francesca, Ronda, Luca

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The EU’s Per- and Polyfluoroalkyl Substances (PFAS) Ban: A Case of Policy over Science von Spyrakis, Francesca, Dragani, Tommaso A.

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Molecular modeling simulation studies reveal new potential inhibitors against HPV E6 protein von Ricci-López, Joel, Vidal-Limon, Abraham, Zunñiga, Matías, Jimènez, Verónica A, Alderete, Joel B, Brizuela, Carlos A, Aguila, Sergio

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Editorial: Computational methods for protein characterization: in memoriam of Donald Abraham von Spyrakis, Francesca, Kellogg, Glen E.

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Pharmacological analysis of Empagliflozin: Acting through the CaMKII pathway in type 2 diabetes and acute cardiovascular events von Shao, Guangyao

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Fluorescent Nitric Oxide Photodonors Based on BODIPY and Rhodamine Antennae von Parisi, Cristina, Failla, Mariacristina, Fraix, Aurore, Rolando, Barbara, Gianquinto, Eleonora, Spyrakis, Francesca, Gazzano, Elena, Riganti, Chiara, Lazzarato, Loretta, Fruttero, Roberta, Gasco, Alberto, Sortino, Salvatore

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Deciphering the binding behavior of flavonoids to the cyclin dependent kinase 6/cyclin D complex von Zhang, Jingxiao, Zhang, Lilei, Xu, Yangcheng, Jiang, Shanshan, Shao, Yueyue

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Induction of plasmid-mediated AmpC β-lactamase DHA-1 by piperacillin/tazobactam and other β-lactams in Enterobacteriaceae von Akata, Kentaro, Muratani, Tetsuro, Yatera, Kazuhiro, Naito, Keisuke, Noguchi, Shingo, Yamasaki, Kei, Kawanami, Toshinori, Kido, Takashi, Mukae, Hiroshi

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Virtual screening identifies broad-spectrum β-lactamase inhibitors with activity on clinically relevant serine- and metallo-carbapenemases von Spyrakis, Francesca, Santucci, Matteo, Maso, Lorenzo, Cross, Simon, Gianquinto, Eleonora, Sannio, Filomena, Verdirosa, Federica, De Luca, Filomena, Docquier, Jean-Denis, Cendron, Laura, Tondi, Donatella, Venturelli, Alberto, Cruciani, Gabriele, Costi, Maria Paola

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Exploring Ligand Binding Domain Dynamics in the NRs Superfamily von D’Arrigo, Giulia, Autiero, Ida, Gianquinto, Eleonora, Siragusa, Lydia, Baroni, Massimo, Cruciani, Gabriele, Spyrakis, Francesca

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Chemical Modulation of the 1-(Piperidin-4-yl)-1,3-dihydro-2H-benzo[d]imidazole-2-one Scaffold as a Novel NLRP3 Inhibitor von Gastaldi, Simone, Boscaro, Valentina, Gianquinto, Eleonora, Sandall, Christina F., Giorgis, Marta, Marini, Elisabetta, Blua, Federica, Gallicchio, Margherita, Spyrakis, Francesca, MacDonald, Justin A., Bertinaria, Massimo

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Identification of small molecules affecting the interaction between human hemoglobin and Staphylococcus aureus IsdB hemophore von Cozzi, Monica, Failla, Mariacristina, Gianquinto, Eleonora, Kovachka, Sandra, Buoli Comani, Valeria, Compari, Carlotta, De Bei, Omar, Giaccari, Roberta, Marchesani, Francesco, Marchetti, Marialaura, Ronda, Luca, Rolando, Barbara, Baroni, Massimo, Cruciani, Gabriele, Campanini, Barbara, Bettati, Stefano, Faggiano, Serena, Lazzarato, Loretta, Spyrakis, Francesca

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N -[1,3-Dialkyl(aryl)-2-oxoimidazolidin-4-ylidene]-aryl(alkyl)sulphonamides as Novel Selective Human Cannabinoid Type 2 Receptor (hCB2R) Ligands; Insights into the Mechanism of Rec... von Gianquinto, Eleonora, Sodano, Federica, Rolando, Barbara, Kostrzewa, Magdalena, Allarà, Marco, Mahmoud, Ali Mokhtar, Kumar, Poulami, Spyrakis, Francesca, Ligresti, Alessia, Chegaev, Konstantin

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Investigation into the Use of Encorafenib to Develop Potential PROTACs Directed against BRAFV600E Protein von Marini, Elisabetta, Marino, Marco, Gionfriddo, Giulia, Maione, Federica, Pandini, Marta, Oddo, Daniele, Giorgis, Marta, Rolando, Barbara, Blua, Federica, Gastaldi, Simone, Marchiò, Serena, Kovachka, Sandra, Spyrakis, Francesca, Gianquinto, Eleonora, Di Nicolantonio, Federica, Bertinaria, Massimo

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Rational Design of a User-Friendly Aptamer/Peptide-Based Device for the Detection of Staphylococcus aureus von Ronda, Luca, Tonelli, Alessandro, Sogne, Elisa, Autiero, Ida, Spyrakis, Francesca, Pellegrino, Sara, Abbiati, Giorgio, Maffioli, Elisa, Schulte, Carsten, Piano, Riccardo, Cozzini, Pietro, Mozzarelli, Andrea, Bettati, Stefano, Clerici, Francesca, Milani, Paolo, Lenardi, Cristina, Tedeschi, Gabriella, Gelmi, Maria Luisa

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Structure-Based Optimization of 1,2,4-Triazole-3-Thione Derivatives: Improving Inhibition of NDM-/VIM-Type Metallo-β-Lactamases and Synergistic Activity on Resistant Bacteria von Bersani, Matteo, Failla, Mariacristina, Vascon, Filippo, Gianquinto, Eleonora, Bertarini, Laura, Baroni, Massimo, Cruciani, Gabriele, Verdirosa, Federica, Sannio, Filomena, Docquier, Jean-Denis, Cendron, Laura, Spyrakis, Francesca, Lazzarato, Loretta, Tondi, Donatella

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HINT, a code for understanding the interaction between biomolecules: a tribute to Donald J. Abraham von Kellogg, Glen E, Marabotti, Anna, Spyrakis, Francesca, Mozzarelli, Andrea

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