SPYRAKIS, Francesca
SPYRAKIS, Francesca
Dipartimento di Scienze degli Alimenti (attivo dal 20/07/2012 al 31/12/2016)
A fast empirical scoring method for docking and virtual screening
2007-01-01 Cozzini, Pietro; Spyrakis, Francesca; A., Amadasi; Mozzarelli, Andrea; G. E., Kellogg
A new approach for investigating protein flexibility based on Constraint Logic Programming. The first application in the case of the estrogen receptor
2012-01-01 DAL PALU', Alessandro; Spyrakis, Francesca; Cozzini, Pietro
A novel Bim-BH3-derived Bcl-XL inhibitor: biochemical characterization, in vitro, in vivo and ex-vivo anti-leukemic activity
2008-01-01 R., Ponassi; B., Biasotti; V., Tomati; S., Bruno; A., Poggi; D., Malacarne; G., Cimoli; A., Salis; S., Pozzi; M., Miglino; G., Damonte; Cozzini, Pietro; Spyrakis, Francesca; Campanini, Barbara; L., Bagnasco; N., Castagnino; L., Tortolina; A., Mumot; F., Frassoni; A., Daga; M., Cilli; F., Piccardi; I., Monfardini; M., Perugini; G., Zoppoli; C., D'Arrigo; R., Pesenti; S., Parodi
Allosteric communication between alpha and beta subunits of tryptophan synthase: modelling the open-closed transition of the alpha subunit
2006-01-01 Spyrakis, Francesca; Raboni, Samanta; Cozzini, Pietro; Bettati, Stefano; Mozzarelli, Andrea
Bound Water at Protein-Protein Interfaces: Partners, Roles and Hydrophobic Bubbles as a Conserved Motif
2011-01-01 M. H., Ahmed; Spyrakis, Francesca; Cozzini, Pietro; P. K., Tripathi; Mozzarelli, Andrea; J. N., Scarsdale; M. A., Safo; G. E., Kellogg
CO rebinding kinetics and molecular dynamics simulations highlight dynamic regulation of internal cavities in human cytoglobin
2013-01-01 M., Gabba; Abbruzzetti, Stefania; Spyrakis, Francesca; F., Forti; Bruno, Stefano; Mozzarelli, Andrea; F. J., Luque; Viappiani, Cristiano; Cozzini, Pietro; M., Nardini; F., Germani; M., Bolognesi; L., Moens; S., Dewilde
Comparative analysis of inner cavities and ligand migration in non-symbiotic AHb1 and AHb2
2013-01-01 Spyrakis, Francesca; F., Lucas; A., Bidon Chanal; Viappiani, Cristiano; V., Guallar; F. J., Luque
Complexity in modeling and understanding protonation states: computational titration of HIV-1 protease inhibitor complexes
2007-01-01 A., Tripathi; M., Fornabaio; Spyrakis, Francesca; Mozzarelli, Andrea; Cozzini, Pietro; Ge, Kellogg
Computational study of the role of bridging water molecules in the energetics of protein-ligand binding
2004-01-01 M., Fornabaio; Cozzini, Pietro; Spyrakis, Francesca; Mozzarelli, Andrea; D. J., Abraham; G. E., Kellogg
Computational titration analysis of a multiprotic HIV-1 protease-ligand complex
2004-01-01 Spyrakis, Francesca; Fornabaio, M; Cozzini, Pietro; Mozzarelli, Andrea; Abraham, Dj; Kellogg, Ge
Correct protonation states and relevant waters = better computational simulations?
2013-01-01 Spyrakis, Francesca; Dellafiora, Luca; Da, C; Kellogg, Ge; Cozzini, Pietro
Cryo-EM undiscloses structural and mechanistic details on iron hijacking by Staphylococcus aureus: An insight into the interaction of IsdB hemophore with human hemoglobin
2023-01-01 Marchetti, M; De Bei, O; Ronda, L; Gianquinto, E; Lazzarato, L; Chirgadze, Dy; Hardwick, Sw; Cooper, Lr; Cozzi, M; Faggiano, S; Spyrakis, F; Luisi, Bf; Campanini, B; Bettati, S
Current Topics in Medicinal Chemistry
2011-01-01 Spyrakis, Francesca; Aurijit, Sarkar; Cozzini, Pietro; Glen E., Kellogg
Design of O-acetylserine sulfhydrylase inhibitors by mimicking Nature.
2010-01-01 E., Salsi; A., Bayden; Spyrakis, Francesca; A., Amadasi; Campanini, Barbara; Bettati, Stefano; Cozzini, Pietro; G. E., Kellogg; P. F., Cook; T., Dodatko; S. L., Roderick; Mozzarelli, Andrea
Different roles of protein dynamics and ligand migration in non-symbiotic hemoglobins AHb1 and AHb2 from Arabidopsis thaliana
2007-01-01 Bruno, Stefano; Faggiano, Serena; Spyrakis, Francesca; Mozzarelli, Andrea; Elena, Cacciatori; Paola, Dominici; Elena, Grandi; Abbruzzetti, Stefania; Viappiani, Cristiano
Docking and Scoring in Drug Discovery
2010-01-01 Spyrakis, Francesca; Cozzini, Pietro; G. E., Kellogg
Editorial [Hot topic: Applying Induced Fit in Drug Discovery: Square Pegs and Round Holes? (Guest Editors: Francesca Spyrakis, Pietro Cozzini, Aurijit Sarkar and Glen E. Kellogg)]
2011-01-01 Spyrakis, Francesca; Cozzini, Pietro; A., Sarkar; G. E., Kellogg
Energetics of the protein-DNA-water interaction
2007-01-01 Spyrakis, F; Cozzini, P; Bertoli, C; Marabotti, A; Kellogg, Ge; Mozzarelli, A.
Energy-based code for preferential amino acid-base recognition
2008-01-01 Spyrakis, Francesca; Marabotti, ANNA CLAUDIA; A., Facchiano; Cozzini, Pietro; G. E., Kellogg; D. J., Abraham; Mozzarelli, Andrea
Energy-based prediction of amino acid-nucleotide base recognition
2008-01-01 Marabotti, ANNA CLAUDIA; Spyrakis, Francesca; Facchiano, A; Cozzini, Pietro; Alberti, S; Kellogg, Ge; Mozzarelli, Andrea
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| A fast empirical scoring method for docking and virtual screening | 1-gen-2007 | Cozzini, Pietro; Spyrakis, Francesca; A., Amadasi; Mozzarelli, Andrea; G. E., Kellogg | |
| A new approach for investigating protein flexibility based on Constraint Logic Programming. The first application in the case of the estrogen receptor | 1-gen-2012 | DAL PALU', Alessandro; Spyrakis, Francesca; Cozzini, Pietro | |
| A novel Bim-BH3-derived Bcl-XL inhibitor: biochemical characterization, in vitro, in vivo and ex-vivo anti-leukemic activity | 1-gen-2008 | R., Ponassi; B., Biasotti; V., Tomati; S., Bruno; A., Poggi; D., Malacarne; G., Cimoli; A., Salis; S., Pozzi; M., Miglino; G., Damonte; Cozzini, Pietro; Spyrakis, Francesca; Campanini, Barbara; L., Bagnasco; N., Castagnino; L., Tortolina; A., Mumot; F., Frassoni; A., Daga; M., Cilli; F., Piccardi; I., Monfardini; M., Perugini; G., Zoppoli; C., D'Arrigo; R., Pesenti; S., Parodi | |
| Allosteric communication between alpha and beta subunits of tryptophan synthase: modelling the open-closed transition of the alpha subunit | 1-gen-2006 | Spyrakis, Francesca; Raboni, Samanta; Cozzini, Pietro; Bettati, Stefano; Mozzarelli, Andrea | |
| Bound Water at Protein-Protein Interfaces: Partners, Roles and Hydrophobic Bubbles as a Conserved Motif | 1-gen-2011 | M. H., Ahmed; Spyrakis, Francesca; Cozzini, Pietro; P. K., Tripathi; Mozzarelli, Andrea; J. N., Scarsdale; M. A., Safo; G. E., Kellogg | |
| CO rebinding kinetics and molecular dynamics simulations highlight dynamic regulation of internal cavities in human cytoglobin | 1-gen-2013 | M., Gabba; Abbruzzetti, Stefania; Spyrakis, Francesca; F., Forti; Bruno, Stefano; Mozzarelli, Andrea; F. J., Luque; Viappiani, Cristiano; Cozzini, Pietro; M., Nardini; F., Germani; M., Bolognesi; L., Moens; S., Dewilde | |
| Comparative analysis of inner cavities and ligand migration in non-symbiotic AHb1 and AHb2 | 1-gen-2013 | Spyrakis, Francesca; F., Lucas; A., Bidon Chanal; Viappiani, Cristiano; V., Guallar; F. J., Luque | |
| Complexity in modeling and understanding protonation states: computational titration of HIV-1 protease inhibitor complexes | 1-gen-2007 | A., Tripathi; M., Fornabaio; Spyrakis, Francesca; Mozzarelli, Andrea; Cozzini, Pietro; Ge, Kellogg | |
| Computational study of the role of bridging water molecules in the energetics of protein-ligand binding | 1-gen-2004 | M., Fornabaio; Cozzini, Pietro; Spyrakis, Francesca; Mozzarelli, Andrea; D. J., Abraham; G. E., Kellogg | |
| Computational titration analysis of a multiprotic HIV-1 protease-ligand complex | 1-gen-2004 | Spyrakis, Francesca; Fornabaio, M; Cozzini, Pietro; Mozzarelli, Andrea; Abraham, Dj; Kellogg, Ge | |
| Correct protonation states and relevant waters = better computational simulations? | 1-gen-2013 | Spyrakis, Francesca; Dellafiora, Luca; Da, C; Kellogg, Ge; Cozzini, Pietro | |
| Cryo-EM undiscloses structural and mechanistic details on iron hijacking by Staphylococcus aureus: An insight into the interaction of IsdB hemophore with human hemoglobin | 1-gen-2023 | Marchetti, M; De Bei, O; Ronda, L; Gianquinto, E; Lazzarato, L; Chirgadze, Dy; Hardwick, Sw; Cooper, Lr; Cozzi, M; Faggiano, S; Spyrakis, F; Luisi, Bf; Campanini, B; Bettati, S | |
| Current Topics in Medicinal Chemistry | 1-gen-2011 | Spyrakis, Francesca; Aurijit, Sarkar; Cozzini, Pietro; Glen E., Kellogg | |
| Design of O-acetylserine sulfhydrylase inhibitors by mimicking Nature. | 1-gen-2010 | E., Salsi; A., Bayden; Spyrakis, Francesca; A., Amadasi; Campanini, Barbara; Bettati, Stefano; Cozzini, Pietro; G. E., Kellogg; P. F., Cook; T., Dodatko; S. L., Roderick; Mozzarelli, Andrea | |
| Different roles of protein dynamics and ligand migration in non-symbiotic hemoglobins AHb1 and AHb2 from Arabidopsis thaliana | 1-gen-2007 | Bruno, Stefano; Faggiano, Serena; Spyrakis, Francesca; Mozzarelli, Andrea; Elena, Cacciatori; Paola, Dominici; Elena, Grandi; Abbruzzetti, Stefania; Viappiani, Cristiano | |
| Docking and Scoring in Drug Discovery | 1-gen-2010 | Spyrakis, Francesca; Cozzini, Pietro; G. E., Kellogg | |
| Editorial [Hot topic: Applying Induced Fit in Drug Discovery: Square Pegs and Round Holes? (Guest Editors: Francesca Spyrakis, Pietro Cozzini, Aurijit Sarkar and Glen E. Kellogg)] | 1-gen-2011 | Spyrakis, Francesca; Cozzini, Pietro; A., Sarkar; G. E., Kellogg | |
| Energetics of the protein-DNA-water interaction | 1-gen-2007 | Spyrakis, F; Cozzini, P; Bertoli, C; Marabotti, A; Kellogg, Ge; Mozzarelli, A. | |
| Energy-based code for preferential amino acid-base recognition | 1-gen-2008 | Spyrakis, Francesca; Marabotti, ANNA CLAUDIA; A., Facchiano; Cozzini, Pietro; G. E., Kellogg; D. J., Abraham; Mozzarelli, Andrea | |
| Energy-based prediction of amino acid-nucleotide base recognition | 1-gen-2008 | Marabotti, ANNA CLAUDIA; Spyrakis, Francesca; Facchiano, A; Cozzini, Pietro; Alberti, S; Kellogg, Ge; Mozzarelli, Andrea |