Gabriele Costantino

Publication Activity (10 Years)

Years Active: 2002-2018
Publications (10 Years): 1

Top Topics

Molecular Dynamics

Sampling Methods

Experimental Design

Top Venues

J. Chem. Inf. Model.

Publications

Joana Magalhães, Giannamaria Annunziato, Nina Franko, Marco Pieroni, Barbara Campanini, Agostino Bruno, Gabriele Costantino
Integration of Enhanced Sampling Methods with Saturation Transfer Difference Experiments to Identify Protein Druggable Pockets. J. Chem. Inf. Model. 58 (3) (2018)
Anna Maria Capelli, Gabriele Costantino
Unbinding Pathways of VEGFR2 Inhibitors Revealed by Steered Molecular Dynamics. J. Chem. Inf. Model. 54 (11) (2014)
Claudia Beato, Andrea Beccari, Carlo Cavazzoni, Simone Lorenzi, Gabriele Costantino
Use of Experimental Design To Optimize Docking Performance: The Case of LiGenDock, the Docking Module of Ligen, a New De Novo Design Program. J. Chem. Inf. Model. 53 (6) (2013)
Andrea Beccari, Carlo Cavazzoni, Claudia Beato, Gabriele Costantino
LiGen: A High Performance Workflow for Chemistry Driven de Novo Design. J. Chem. Inf. Model. 53 (6) (2013)
Agostino Bruno, Antonio Entrena Guadix, Gabriele Costantino
Complex. An Atomistic Resolution Study of a Potential New Target in Psychiatric Conditions. J. Chem. Inf. Model. 49 (6) (2009)
Cristina Ferrari, Antonio Macchiarulo, Gabriele Costantino, Roberto Pellicciari
Pharmacophore model for bile acids recognition by the FPR receptor. J. Comput. Aided Mol. Des. 20 (5) (2006)
Antonio Macchiarulo, Gabriele Costantino, Mirco Meniconi, Karin Pleban, Gerhard F. Ecker, Daniele Bellocchi, Roberto Pellicciari
Insights into Phenylalanine Derivatives Recognition of VLA-4 Integrin: From a Pharmacophoric Study to 3D-QSAR and Molecular Docking Analyses. J. Chem. Inf. Model. 44 (5) (2004)
Gabriele Costantino, Antonio Macchiarulo, Maxim Belenikin, Roberto Pellicciari
Molecular dynamics simulation of the ligand binding domain of mGluR1 in response to agonist and antagonist binding. J. Comput. Aided Mol. Des. 16 (11) (2002)