Gabriele Cruciani

Publication Activity (10 Years)

Years Active: 2000-2023
Publications (10 Years): 9

Top Topics

Protein Interaction

Machine Learning

Computational Chemistry

Grid Infrastructure

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

J. Comput. Aided Mol. Des.

PLoS Comput. Biol.

Publications

Loriano Storchi, Gabriele Cruciani, Simon Cross
DeepGRID: Deep Learning Using GRID Descriptors for BBB Prediction. J. Chem. Inf. Model. 63 (17) (2023)
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) (2022)
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) (2022)
Lydia Siragusa, Gabriele Menna, Fabrizio Buratta, Massimo Baroni, Jenny Desantis, Gabriele Cruciani, Laura Goracci
oronaviruses. J. Chem. Inf. Model. 62 (12) (2022)
Simon Cross, Gabriele Cruciani
FragExplorer: GRID-Based Fragment Growing and Replacement. J. Chem. Inf. Model. 62 (5) (2022)
Sara Tortorella, Emanuele Carosati, Giulia Sorbi, Giovanni Bocci, Simon Cross, Gabriele Cruciani, Loriano Storchi
Cover Image. J. Comput. Chem. 42 (29) (2021)
Sara Tortorella, Emanuele Carosati, Giulia Sorbi, Giovanni Bocci, Simon Cross, Gabriele Cruciani, Loriano Storchi
Combining machine learning and quantum mechanics yields more chemically aware molecular descriptors for medicinal chemistry applications. J. Comput. Chem. 42 (29) (2021)
Gabriele Cruciani, Yvonne C. Martin, Andy Vinter, Richard Lewis, Federico Gago, Terry R. Stouch
How computational chemistry develops: a tribute to Peter Goodford. J. Comput. Aided Mol. Des. 33 (8) (2019)
Miquel Duran-Frigola, Lydia Siragusa, Eytan Ruppin, Xavier Barril, Gabriele Cruciani, Patrick Aloy
Detecting similar binding pockets to enable systems polypharmacology. PLoS Comput. Biol. 13 (6) (2017)
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) (2015)
Laura Goracci, Martina Ceccarelli, Daniela Bonelli, Gabriele Cruciani
Modeling Phospholipidosis Induction: Reliability and Warnings. J. Chem. Inf. Model. 53 (6) (2013)
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) (2012)
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) (2012)
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) (2010)
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) (2010)
Francesca Milletti, Loriano Storchi, Gianluca Sforna, Simon Cross, Gabriele Cruciani
Tautomer Enumeration and Stability Prediction for Virtual Screening on Large Chemical Databases. J. Chem. Inf. Model. 49 (1) (2009)
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) (2008)
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) (2007)
Francesca Milletti, Loriano Storchi, Gianluca Sforna, Gabriele Cruciani
Prediction Method Using Grid Molecular Interaction Fields. J. Chem. Inf. Model. 47 (6) (2007)
Paola Cratteri, Maria Novella Romanelli, Gabriele Cruciani, Claudia Bonaccini, Fabrizio Melani
. J. Comput. Aided Mol. Des. 18 (5) (2004)
Enrica Filipponi, Gabriele Cruciani, Oriana Tabarrini, Violetta Cecchetti, Arnaldo Fravolini
QSAR study and VolSurf characterization of anti-HIV quinolone library. J. Comput. Aided Mol. Des. 15 (3) (2001)
Juan José Lozano, Manuel Pastor, Gabriele Cruciani, Katrin Gaedt, Nuria B. Centeno, Federico Gago, Ferran Sanz
3D-QSAR methods on the basis of ligand-receptor complexes. Application of COMBINE and GRID/GOLPE methodologies to a series of CYP1A2 ligands. J. Comput. Aided Mol. Des. 14 (4) (2000)