SPYRAKIS, FRANCESCA

SPYRAKIS, FRANCESCA  

SCIENZA E TECNOLOGIA DEL FARMACO  

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Titolo Data di pubblicazione Autore(i) File
4-amino-1,2,4-triazole-3-thione as a promising scaffold for the inhibition of serine and metallo-β-lactamases 2020 Linciano P.; Gianquinto E.; Montanari M.; Maso L.; Bellio P.; Cebrian-Sastre E.; Celenza G.; Blazquez J.; Cendron L.; Spyrakis F.; Tondi D.
Allosteric communication between alpha and beta subunits of tryptophan synthase: Modelling the open-closed transition of the alpha subunit 2006 Spyrakis, Francesca; Raboni, Samanta; Cozzini, Pietro; Bettati, Stefano; Mozzarelli, Andrea
The allosteric interplay between S-nitrosylation and glycine binding controls the activity of human serine racemase 2021 Marchesani F.; Gianquinto E.; Autiero I.; Michielon A.; Campanini B.; Faggiano S.; Bettati S.; Mozzarelli A.; Spyrakis F.; Bruno S.
Application of an in house bioisosteric approach to the design of innovative inhibitors of aldo-keto reductase 1C3 (AKR1C3) 2019 Chiara Vigato, Agnese Chiara Pippione, Sandra Kovachka, Francesca Spyrakis, Martina Daga, Simonetta Oliaro-Bosso, Marco Lucio Lolli, Donatella Boschi
Application of an in-house Bioisosteric Approach to the Design of Innovative Inhibitors of Aldo-Keto Reductase 1C3 (AKR1C3) 2019 Chiara Vigato, Agnese Chiara Pippione, Sandra Kovachka, Francesca Spyrakis, Martina Daga, Simonetta Oliaro Bosso, Marco Lucio Lolli, Donatella Boschi
Binding of androgen-and estrogen-like flavonoids to their cognate (Non)nuclear receptors: A comparison by computational prediction 2021 D'arrigo G.; Gianquinto E.; Rossetti G.; Cruciani G.; Lorenzetti S.; Spyrakis F.
BioGPS: The music for the chemo- and bioinformatics walzer 2014 Siragusa, Lydia; Spyrakis, Francesca; Goracci, Laura; Cross, Simon; Cruciani, Gabriele
A Blueprint for High Affinity SARS-CoV-2 Mpro Inhibitors from Activity-Based Compound Library Screening Guided by Analysis of Protein Dynamics 2021 Gossen J.; Albani S.; Hanke A.; Joseph B.P.; Bergh C.; Kuzikov M.; Costanzi E.; Manelfi C.; Storici P.; Gribbon P.; Beccari A.R.; Talarico C.; Spyrakis F.; Lindahl E.; Zaliani A.; Carloni P.; Wade R.C.; Musiani F.; Kokh D.B.; Rossetti G.
Bound water at protein-protein interfaces: Partners, roles and hydrophobic bubbles as a conserved motif 2011 Ahmed, Mostafa H.; Spyrakis, Francesca; Cozzini, Pietro; Tripathi, Parijat K.; Mozzarelli, Andrea; Scarsdale, J. Neel; Safo, Martin A.; Kellogg, Glen E.
BROAD SPECTRUM METALLO beta-LACTAMASES INHIBITORS: NEW TOOLS AGAINST CLINICALLY-RELEVANT CARBAPENEMASES 2022 Lazzarato, L.; Failla, M.; Gianquinto, E.; Bersani, M.; Bertarini, L.; Verri, A.; Vascon, F.; Sannio, F.; Verdirosa, F.; Beatrice, N.; De Luca, F.; Costi, M.P.; Cruciani, G.; Docquier, J.D.; Cendron, L.; Spyrakis, F.; Tondi, D.
Can we exploit β-lactamases intrinsic dynamics for designing more effective inhibitors? 2020 Gianquinto E.; Tondi D.; D'arrigo G.; Lazzarato L.; Spyrakis F.
Chemical modulation of the 1-(Piperidin-4-yl)-1,3-dihydro-2h-benzo[d]imidazole-2-one scaffold as a novel NLRP3 inhibitor 2021 Gastaldi S.; Boscaro V.; Gianquinto E.; Sandall C.F.; Giorgis M.; Marini E.; Blua F.; Gallicchio M.; Spyrakis F.; Macdonald J.A.; Bertinaria M.
Chemogenomics of pyridoxal 5′-phosphate dependent enzymes 2013 Singh, Ratna; Spyrakis, Francesca; Cozzini, Pietro; Paiardini, Alessandro; Pascarella, Stefano; Mozzarelli, Andrea
CO Rebinding Kinetics and Molecular Dynamics Simulations Highlight Dynamic Regulation of Internal Cavities in Human Cytoglobin 2013 Gabba, Matteo; Abbruzzetti, Stefania; Spyrakis, Francesca; Forti, Flavio; Bruno, Stefano; Mozzarelli, Andrea; Luque, F. Javier; Viappiani, Cristiano; Cozzini, Pietro; Nardini, Marco; Germani, Francesca; Bolognesi, Martino; Moens, Luc; Dewilde, Sylvia
Comparative analysis of inner cavities and ligand migration in non-symbiotic AHb1 and AHb2 2013 Spyrakis, Francesca; Lucas, Fátima; Bidon-Chanal, Axel; Viappiani, Cristiano; Guallar, Victor; Luque, F. Javier
Comparative mapping of on-targets and off-targets for the discovery of anti-trypanosomatid folate pathway inhibitors 2017 Panecka-Hofman, Joanna; Pã¶hner, Ina; Spyrakis, Francesca; Zeppelin, Talia; Di Pisa, Flavio; Dello Iacono, Lucia; Bonucci, Alessio; Quotadamo, Antonio; Venturelli, Alberto; Mangani, Stefano; Costi, Maria Paola; Wade, Rebecca C.
Comparing Drug Images and Repurposing Drugs with BioGPS and FLAPdock: The Thymidylate Synthase Case 2016 Siragusa, Lydia; Luciani, Rosaria; Borsari, Chiara; Ferrari, Stefania; Costi, Maria Paola; Cruciani, Gabriele; Spyrakis, Francesca
Complexity in modeling and understanding protonation states: Computational titration of HIV-1-protease-inhibitor complexes 2007 Tripathi, A; Fornabaio, M; Spyrakis, F; Mozzarelli, A; Cozzini, P; Kellogg, Ge
Computational and biological profile of boronic acids for the detection of bacterial serine- and metallo-beta-lactamases 2017 Santucci, Matteo; Spyrakis, Francesca; Cross, Simon; Quotadamo, Antonio; Farina, Davide; Tondi, Donatella; De Luca, Filomena; Docquier, Jean-Denis; Prieto, Ana Isabel; Ibacache, Claudia; Blã¡zquez, Jesãºs; Venturelli, Alberto; Cruciani, Gabriele; Costi, Maria Paola
Computational Modeling and Design of New Inhibitors of Carbapenemases: A Discussion from the EPIC Alliance Network 2022 Dahdouh, E; Allander, L; Falgenhauer, L; Iorga, BI; Lorenzetti, S; Marcos-Alcalde, I; Martin, NI; Martinez-Martinez, L; Mingorance, J; Naas, T; Rubin, JE; Spyrakis, F; Tangden, T; Gomez-Puertas, P