Massimo Baroni

发表

FLAP: 4‐Point Pharmacophore Fingerprints from GRID

Jonathan S. Mason, Francesca Perruccio, Simone Sciabola, 2006 .

The Complexity of Molecular Interaction: Molecular Shape Fingerprints by the PathFinder Approach

Gabriele Cruciani, Massimo Baroni, Iain Mcfarlane Mclay, 2006 .

A Pipeline To Enhance Ligand Virtual Screening: Integrating Molecular Dynamics and Fingerprints for Ligand and Proteins

Stefano Alcaro, Andrea Cavalli, Walter Rocchia, 2015, J. Chem. Inf. Model..

Molecular Interaction Fields and 3D-QSAR Studies of p53-MDM2 Inhibitors Suggest Additional Features of Ligand-Target Interaction

Matteo Magnani, Gabriele Cruciani, Andrea Carotti, 2010, J. Chem. Inf. Model..

FLAP: GRID Molecular Interaction Fields in Virtual Screening. Validation using the DUD Data Set

Paolo Benedetti, Simon Cross, Massimo Baroni, 2010, J. Chem. Inf. Model..

First virtual screening and experimental validation of inhibitors targeting GES-5 carbapenemase

Donatella Tondi, Paolo Benedetti, Massimo Baroni, 2019, Journal of Computer-Aided Molecular Design.

GRID-Based Three-Dimensional Pharmacophores I: FLAPpharm, a Novel Approach for Pharmacophore Elucidation

Simon Cross, Gabriele Cruciani, Massimo Baroni, 2012, J. Chem. Inf. Model..

Selection of informative structures for QSAR studies

Gabriele Cruciani, Massimo Baroni, Bert Skagerberg, 1991 .

GRID-Based Three-Dimensional Pharmacophores II: PharmBench, a Benchmark Data Set for Evaluating Pharmacophore Elucidation Methods

Stefano Alcaro, Federica Moraca, Simona Distinto, 2012, J. Chem. Inf. Model..

Discovering New Casein Kinase 1d Inhibitors with an Innovative Molecular Dynamics Enabled Virtual Screening Workflow.

Francesca Spyrakis, Paolo Benedetti, Gabriele Cruciani, 2018, ACS medicinal chemistry letters.

A Common Reference Framework for Analyzing/Comparing Proteins and Ligands. Fingerprints for Ligands And Proteins (FLAP): Theory and Application

Gabriele Cruciani, Jonathan S. Mason, Francesca Perruccio, 2007, J. Chem. Inf. Model..

High-Throughput Virtual Screening of Proteins Using GRID Molecular Interaction Fields

James E. J. Mills, Gabriele Cruciani, Jonathan S. Mason, 2010, J. Chem. Inf. Model..

Targeting the Conformational Transitions of MDM2 and MDMX: Insights into Dissimilarities and Similarities of p53 Recognition

Gabriele Cruciani, Andrea Carotti, Antonio Macchiarulo, 2008, J. Chem. Inf. Model..

Mining large chemical spaces in lead and drug discovery

Tudor I. Oprea, Cristian G. Bologa, Bruce S. Edwards, 2006 .

RECENT DEVELOPMENTS IN 3D-QSAR METHODOLOGIES

Gabriele Cruciani, Massimo Baroni, Manuel Pastor, 1998 .

BioGPS: Navigating biological space to predict polypharmacology, off‐targeting, and selectivity

Gabriele Cruciani, Massimo Baroni, Lydia Siragusa, 2015, Proteins.

Exposition and reactivity optimization to predict sites of metabolism in chemicals.

Paolo Benedetti, Gabriele Cruciani, Massimo Baroni, 2013, Drug discovery today. Technologies.

Conformer- and alignment-independent model for predicting structurally diverse competitive CYP2C9 inhibitors.

Anders Karlén, Gabriele Cruciani, Massimo Baroni, 2004, Journal of medicinal chemistry.

Virtual screening for novel openers of pancreatic K(ATP) channels.

Massimo Baroni, Raimund Mannhold, Emanuele Carosati, 2007, Journal of medicinal chemistry.

Disrupting Protein–Protein Interfaces Using GRID Molecular Interaction Fields

Stefano Alcaro, Gabriele Cruciani, Massimo Baroni, 2013 .

GRID‐Derived Molecular Interaction Fields for Predicting the Site of Metabolism in Human Cytochromes

Gabriele Cruciani, Massimo Baroni, Yasmin Aristei, 2006 .

D-Optimal Designs in QSAR

Svante Wold, Gabriele Cruciani, Massimo Baroni, 1993 .

Peptide studies by means of principal properties of amino acids derived from MIF descriptors

Gabriele Cruciani, Massimo Baroni, Emanuele Carosati, 2004 .

A Common Reference Framework for Analyzing/Comparing Proteins and Ligands. Fingerprints for Liands and Proteins (FLAP): Theory and Application.

Gabriele Cruciani, Jonathan S. Mason, Francesca Perruccio, 2007 .

GOLPE: An advanced chemometric tool for 3D QSAR problems

Gabriele Cruciani, Massimo Baroni, Daniela Riganelli, 1993 .