Gabriele Costantino

According to our database, Gabriele Costantino authored at least 8 papers between 2002 and 2018.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2018

Integration of Enhanced Sampling Methods with Saturation Transfer Difference Experiments to Identify Protein Druggable Pockets.

Joana Magalhães, Giannamaria Annunziato, Nina Franko, Marco Pieroni, Barbara Campanini, Agostino Bruno, Gabriele Costantino

J. Chem. Inf. Model., 2018

2014

Unbinding Pathways of VEGFR2 Inhibitors Revealed by Steered Molecular Dynamics.

Anna Maria Capelli, Gabriele Costantino

J. Chem. Inf. Model., 2014

2013

LiGen: A High Performance Workflow for Chemistry Driven de Novo Design.

Andrea Beccari, Carlo Cavazzoni, Claudia Beato, Gabriele Costantino

J. Chem. Inf. Model., 2013

Use of Experimental Design To Optimize Docking Performance: The Case of LiGenDock, the Docking Module of Ligen, a New De Novo Design Program.

Claudia Beato, Andrea Beccari, Carlo Cavazzoni, Simone Lorenzi, Gabriele Costantino

J. Chem. Inf. Model., 2013

2009

Molecular Dynamics Simulation of the Heterodimeric mGluR2/5HT_2A Complex. An Atomistic Resolution Study of a Potential New Target in Psychiatric Conditions.

Agostino Bruno, Antonio Entrena Guadix, Gabriele Costantino

J. Chem. Inf. Model., 2009

2006

Pharmacophore model for bile acids recognition by the FPR receptor.

Cristina Ferrari, Antonio Macchiarulo, Gabriele Costantino, Roberto Pellicciari

J. Comput. Aided Mol. Des., 2006

2004

Insights into Phenylalanine Derivatives Recognition of VLA-4 Integrin: From a Pharmacophoric Study to 3D-QSAR and Molecular Docking Analyses.

Antonio Macchiarulo, Gabriele Costantino, Mirco Meniconi, Karin Pleban, Gerhard F. Ecker, Daniele Bellocchi, Roberto Pellicciari

J. Chem. Inf. Model., 2004

2002

Molecular dynamics simulation of the ligand binding domain of mGluR1 in response to agonist and antagonist binding.

Gabriele Costantino, Antonio Macchiarulo, Maxim Belenikin, Roberto Pellicciari

J. Comput. Aided Mol. Des., 2002