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2020 – today
- 2022
[j12]Daniela Trisciuzzi, Lydia Siragusa
, Massimo Baroni, Ida Autiero, Orazio Nicolotti, Gabriele Cruciani:
Getting Insights into Structural and Energetic Properties of Reciprocal Peptide-Protein Interactions. J. Chem. Inf. Model. 62(4): 1113-1125 (2022)- [j11]Lydia Siragusa, Gabriele Menna, Fabrizio Buratta, Massimo Baroni, Jenny Desantis, Gabriele Cruciani, Laura Goracci:
CROMATIC: Cross-Relationship Map of Cavities from Coronaviruses. J. Chem. Inf. Model. 62(12): 2901-2908 (2022) - [j10]Daniela Trisciuzzi, Lydia Siragusa, Massimo Baroni, Gabriele Cruciani, Orazio Nicolotti:
An Integrated Machine Learning Model To Spot Peptide Binding Pockets in 3D Protein Screening. J. Chem. Inf. Model. 62(24): 6812-6824 (2022)
2010 – 2019
- 2019
- [j9]Francesca Spyrakis, Pierangelo Bellio, Antonio Quotadamo, Pasquale Linciano, Paolo Benedetti, Giulia D'Arrigo, Massimo Baroni, Laura Cendron, Giuseppe Celenza, Donatella Tondi:
First virtual screening and experimental validation of inhibitors targeting GES-5 carbapenemase. J. Comput. Aided Mol. Des. 33(2): 295-305 (2019) - 2015
- [j8]Francesca Spyrakis, Paolo Benedetti, Sergio Decherchi, Walter Rocchia, Andrea Cavalli, Stefano Alcaro, Francesco Ortuso, Massimo Baroni, Gabriele Cruciani:
A Pipeline To Enhance Ligand Virtual Screening: Integrating Molecular Dynamics and Fingerprints for Ligand and Proteins. J. Chem. Inf. Model. 55(10): 2256-2274 (2015) - 2012
- [j7]Simon Cross, Massimo Baroni, Laura Goracci, Gabriele Cruciani:
GRID-Based Three-Dimensional Pharmacophores I: FLAPpharm, a Novel Approach for Pharmacophore Elucidation. J. Chem. Inf. Model. 52(10): 2587-2598 (2012) - [j6]Simon Cross, Francesco Ortuso, Massimo Baroni, Giosuè Costa, Simona Distinto, Federica Moraca, Stefano Alcaro, Gabriele Cruciani:
GRID-Based Three-Dimensional Pharmacophores II: PharmBench, a Benchmark Data Set for Evaluating Pharmacophore Elucidation Methods. J. Chem. Inf. Model. 52(10): 2599-2608 (2012) - 2010
- [j5]Simone Sciabola, Robert V. Stanton, James E. J. Mills, Maria M. Flocco, Massimo Baroni, Gabriele Cruciani, Francesca Perruccio, Jonathan S. Mason:
High-Throughput Virtual Screening of Proteins Using GRID Molecular Interaction Fields. J. Chem. Inf. Model. 50(1): 155-169 (2010) - [j4]Simon Cross, Massimo Baroni, Emanuele Carosati, Paolo Benedetti, Sérgio Clementi:
FLAP: GRID Molecular Interaction Fields in Virtual Screening. Validation using the DUD Data Set. J. Chem. Inf. Model. 50(8): 1442-1450 (2010) - [j3]Cristina Dezi, Andrea Carotti, Matteo Magnani, Massimo Baroni, Alessandro Padova, Gabriele Cruciani, Antonio Macchiarulo, Roberto Pellicciari:
Molecular Interaction Fields and 3D-QSAR Studies of p53-MDM2 Inhibitors Suggest Additional Features of Ligand-Target Interaction. J. Chem. Inf. Model. 50(8): 1451-1465 (2010)
2000 – 2009
- 2008
- [j2]Antonio Macchiarulo, Nicola Giacche, Andrea Carotti, Massimo Baroni, Gabriele Cruciani, Roberto Pellicciari:
Targeting the Conformational Transitions of MDM2 and MDMX: Insights into Dissimilarities and Similarities of p53 Recognition. J. Chem. Inf. Model. 48(10): 1999-2009 (2008) - 2007
- [j1]Massimo Baroni, Gabriele Cruciani, Simone Sciabola, Francesca Perruccio, Jonathan S. Mason:
A Common Reference Framework for Analyzing/Comparing Proteins and Ligands. Fingerprints for Ligands And Proteins (FLAP): Theory and Application. J. Chem. Inf. Model. 47(2): 279-294 (2007)
Coauthor Index
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