SPYRAKIS, FRANCESCA
Dettaglio
SPYRAKIS, FRANCESCA
SCIENZA E TECNOLOGIA DEL FARMACO
Pubblicazioni
Risultati 1 - 20 di 102 (tempo di esecuzione: 0.001 secondi).
Titolo | Data di pubblicazione | Autore(i) | |
---|---|---|---|
1 | 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. |
2 | 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 |
3 | 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. |
4 | 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. |
5 | BioGPS: The music for the chemo- and bioinformatics walzer | 2014 | Siragusa, Lydia; Spyrakis, Francesca; Goracci, Laura; Cross, Simon; Cruciani, Gabriele |
6 | 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. |
7 | 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. |
8 | Can we exploit β-lactamases intrinsic dynamics for designing more effective inhibitors? | 2020 | Gianquinto E.; Tondi D.; D'arrigo G.; Lazzarato L.; Spyrakis F. |
9 | 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. |
10 | Chemogenomics of pyridoxal 5′-phosphate dependent enzymes | 2013 | Singh, Ratna; Spyrakis, Francesca; Cozzini, Pietro; Paiardini, Alessandro; Pascarella, Stefano; Mozzarelli, Andrea |
11 | 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 |
12 | 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 |
13 | 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. |
14 | 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 |
15 | 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 |
16 | 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 |
17 | Computational titration analysis of a multiprotic HIV-1 protease-ligand complex | 2004 | Spyrakis, Francesca; Fornabaio, Micaela; Cozzini, Pietro; Mozzarelli, Andrea; Abraham, Donald J.; Kellogg, Glen E. |
18 | The consequences of scoring docked ligand conformations using free energy correlations | 2007 | Spyrakis, Francesca; Amadasi, Alessio; Fornabaio, Micaela; Abraham, Donald J.; Mozzarelli, Andrea; Kellogg, Glen E.; Cozzini, Pietro |
19 | Correct protonation states and relevant waters = better computational simulations? | 2013 | Spyrakis, Francesca; Dellafiora, Luca; Chenxiao, Da; Kellogg, Glen E.; Cozzini, Pietro |
20 | Decoding the Structural Basis For Carbapenem Hydrolysis By Class A β-lactamases: Fishing For A Pharmacophore | 2016 | Tondi, Donatella; Cross, Simon; Venturelli, Alberto; Costi, Maria P.; Cruciani, Gabriele; Spyrakis, Francesca |