BARONI, Massimo
BARONI, Massimo
A Common Reference Framework for Analyzing/Comparing Proteins and Ligands. Fingerprints for Ligands and Proteins (FLAP): Theory and Application
2007 Baroni, Massimo; Cruciani, Gabriele; Sciabola, Simone; Perruccio, F.; Mason, J.
A Pipeline to Enhance Ligand Virtual Screening: Integrating Molecular Dynamics and Fingerprints for Ligand and Proteins
2015 Spyrakis, Francesca; Benedetti, Paolo; Decherchi, Sergio; Rocchia, Walter; Cavalli, Andrea; Alcaro, Stefano; Ortuso, Francesco; Baroni, Massimo; Cruciani, Gabriele
Autocorrelation as a tool for a congruent description of molecu¬les in 3D-QSAR studies
1993 Clementi, Sergio; Cruciani, Gabriele; D., Riganelli; Valigi, Roberta; Costantino, Gabriele; Baroni, Massimo; S., Wold
BioGPS descriptors for rational engineering of enzyme promiscuity and structure based bioinformatic analysis
2014 Ferrario, Valerio; Siragusa, Lydia; Ebert, Cynthia; Baroni, Massimo; Foscato, Marco; Cruciani, Gabriele; Gardossi, Lucia
BioGPS: Navigating biological space to predict polypharmacology, off-targeting, and selectivity
2015 Siragusa, Lydia; Cross, Simon; Baroni, Massimo; Goracci, Laura; Cruciani, Gabriele
Characterization of Protein-Binding Sites and Ligands Using Molecular Interaction Fields
2007 Cruciani, Gabriele; Carosati, Emanuele; Wade, R.; Baroni, Massimo
Chemometric approach to a QSAR study of peptides behaving as NK-2 receptor antagonists
1990 Clementi, Sergio; Cruciani, Gabriele; D., Riganelli; P., Rovero; V., Pestellini; C. A., Maggi; Baroni, Massimo
Chemometric investigation on peptide QSAR
1991 Clementi, Sergio; Cruciani, Gabriele; P., Rovero; V., Pestellini; Baroni, Massimo
Chemometric Studies on the Bactericidal Activity of Quinolones via an Extended VolSurf Approach
2004 Cianchetta, Giovanni; Mannhold, R.; Cruciani, Gabriele; Baroni, Massimo; Cecchetti, Violetta
Comparison of chemometric methods for QSAR
1990 Cruciani, Gabriele; Baroni, Massimo; Bonelli, Daniela; Clementi, Sergio; C., Ebert; B., Skagerberg
Conformer- and Alignment-Independent Model for Predicting Structurally Diverse Competitive CYP2C9 Inhibitors
2004 Afzelius, L.; Zamora, I.; Masimirembwa, C.; Karlen, A.; Andersson, T.; Mecucci, S.; Baroni, Massimo; Cruciani, Gabriele
D-optimal designs in QSAR
1993 Baroni, Massimo; Clementi, Sergio; Cruciani, Gabriele; N., Kettaneh Wold; S., Wold
Disrupting protein-protein interfaces using GRID Molecular Interaction Fields
2013 Cross, Simon; Baroni, Massimo; Ortuso, Francesco; Alcaro, Stefano; Cruciani, Gabriele
Exposition and reactivity optimization to predict sites of metabolism in chemicals Review Article
2013 Cruciani, Gabriele; Baroni, Massimo; Benedetti, Paolo; Goracci, Laura; Cosimo Gianluca, Fortuna
FLAP: GRID Molecular Interaction Fields in Virtual Screening. Validation using the DUD Data Set
2010 S., Cross; Baroni, Massimo; Carosati, Emanuele; Benedetti, Paolo; Clementi, Sergio
Flavin Monooxygenase Metabolism: Why Medicinal Chemists Should Matter
2014 Cruciani, Gabriele; Valeri, Aurora; Goracci, Laura; Pellegrino, Roberto Maria; Buonerba, Federica; Baroni, Massimo
From Experiments to a Fast Easy-to-Use Computational Methodology to Predict Human Aldehyde Oxidase Selectivity and Metabolic Reactions
2018 Cruciani, Gabriele; Milani, Nicolò; Benedetti, Paolo; Lepri, Susan; Cesarini, Lucia; Baroni, Massimo; Spyrakis, Francesca; Tortorella, Sara; Mosconi, Edoardo; Goracci, Laura
Generating Optimal Linear PLS Estimations (GOLPE): An Advanced Chemometric Tool for Handling 3D-QSAR Problems
1993 Baroni, Massimo; Costantino, Gabriele; Cruciani, Gabriele; D., Riganelli; Valigi, Roberta; Clementi, Sergio
GOLPE: An Advanced Chemometric Tool for 3D-QSAR Problems
1993 Baroni, Massimo; Costantino, Gabriele; Cruciani, Gabriele; D., Riganelli; Valigi, Roberta; Clementi, Sergio
GRID-Based Three-Dimensional Pharmacophores I: FLAPpharm, a Novel Approach for Pharmacophore Elucidation
2012 Simon, Cross; Baroni, Massimo; Goracci, Laura; Cruciani, Gabriele
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| A Common Reference Framework for Analyzing/Comparing Proteins and Ligands. Fingerprints for Ligands and Proteins (FLAP): Theory and Application | 2007 | Baroni, Massimo; Cruciani, Gabriele; Sciabola, Simone; Perruccio, F.; Mason, J. | |
| A Pipeline to Enhance Ligand Virtual Screening: Integrating Molecular Dynamics and Fingerprints for Ligand and Proteins | 2015 | Spyrakis, Francesca; Benedetti, Paolo; Decherchi, Sergio; Rocchia, Walter; Cavalli, Andrea; Alcaro, Stefano; Ortuso, Francesco; Baroni, Massimo; Cruciani, Gabriele | |
| Autocorrelation as a tool for a congruent description of molecu¬les in 3D-QSAR studies | 1993 | Clementi, Sergio; Cruciani, Gabriele; D., Riganelli; Valigi, Roberta; Costantino, Gabriele; Baroni, Massimo; S., Wold | |
| BioGPS descriptors for rational engineering of enzyme promiscuity and structure based bioinformatic analysis | 2014 | Ferrario, Valerio; Siragusa, Lydia; Ebert, Cynthia; Baroni, Massimo; Foscato, Marco; Cruciani, Gabriele; Gardossi, Lucia | |
| BioGPS: Navigating biological space to predict polypharmacology, off-targeting, and selectivity | 2015 | Siragusa, Lydia; Cross, Simon; Baroni, Massimo; Goracci, Laura; Cruciani, Gabriele | |
| Characterization of Protein-Binding Sites and Ligands Using Molecular Interaction Fields | 2007 | Cruciani, Gabriele; Carosati, Emanuele; Wade, R.; Baroni, Massimo | |
| Chemometric approach to a QSAR study of peptides behaving as NK-2 receptor antagonists | 1990 | Clementi, Sergio; Cruciani, Gabriele; D., Riganelli; P., Rovero; V., Pestellini; C. A., Maggi; Baroni, Massimo | |
| Chemometric investigation on peptide QSAR | 1991 | Clementi, Sergio; Cruciani, Gabriele; P., Rovero; V., Pestellini; Baroni, Massimo | |
| Chemometric Studies on the Bactericidal Activity of Quinolones via an Extended VolSurf Approach | 2004 | Cianchetta, Giovanni; Mannhold, R.; Cruciani, Gabriele; Baroni, Massimo; Cecchetti, Violetta | |
| Comparison of chemometric methods for QSAR | 1990 | Cruciani, Gabriele; Baroni, Massimo; Bonelli, Daniela; Clementi, Sergio; C., Ebert; B., Skagerberg | |
| Conformer- and Alignment-Independent Model for Predicting Structurally Diverse Competitive CYP2C9 Inhibitors | 2004 | Afzelius, L.; Zamora, I.; Masimirembwa, C.; Karlen, A.; Andersson, T.; Mecucci, S.; Baroni, Massimo; Cruciani, Gabriele | |
| D-optimal designs in QSAR | 1993 | Baroni, Massimo; Clementi, Sergio; Cruciani, Gabriele; N., Kettaneh Wold; S., Wold | |
| Disrupting protein-protein interfaces using GRID Molecular Interaction Fields | 2013 | Cross, Simon; Baroni, Massimo; Ortuso, Francesco; Alcaro, Stefano; Cruciani, Gabriele | |
| Exposition and reactivity optimization to predict sites of metabolism in chemicals Review Article | 2013 | Cruciani, Gabriele; Baroni, Massimo; Benedetti, Paolo; Goracci, Laura; Cosimo Gianluca, Fortuna | |
| FLAP: GRID Molecular Interaction Fields in Virtual Screening. Validation using the DUD Data Set | 2010 | S., Cross; Baroni, Massimo; Carosati, Emanuele; Benedetti, Paolo; Clementi, Sergio | |
| Flavin Monooxygenase Metabolism: Why Medicinal Chemists Should Matter | 2014 | Cruciani, Gabriele; Valeri, Aurora; Goracci, Laura; Pellegrino, Roberto Maria; Buonerba, Federica; Baroni, Massimo | |
| From Experiments to a Fast Easy-to-Use Computational Methodology to Predict Human Aldehyde Oxidase Selectivity and Metabolic Reactions | 2018 | Cruciani, Gabriele; Milani, Nicolò; Benedetti, Paolo; Lepri, Susan; Cesarini, Lucia; Baroni, Massimo; Spyrakis, Francesca; Tortorella, Sara; Mosconi, Edoardo; Goracci, Laura | |
| Generating Optimal Linear PLS Estimations (GOLPE): An Advanced Chemometric Tool for Handling 3D-QSAR Problems | 1993 | Baroni, Massimo; Costantino, Gabriele; Cruciani, Gabriele; D., Riganelli; Valigi, Roberta; Clementi, Sergio | |
| GOLPE: An Advanced Chemometric Tool for 3D-QSAR Problems | 1993 | Baroni, Massimo; Costantino, Gabriele; Cruciani, Gabriele; D., Riganelli; Valigi, Roberta; Clementi, Sergio | |
| GRID-Based Three-Dimensional Pharmacophores I: FLAPpharm, a Novel Approach for Pharmacophore Elucidation | 2012 | Simon, Cross; Baroni, Massimo; Goracci, Laura; Cruciani, Gabriele |