Gabriele Costantino - researchr alias

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Viewing Publication 1 - 8 from 8

2018

Integration of Enhanced Sampling Methods with Saturation Transfer Difference Experiments to Identify Protein Druggable PocketsJoana Magalhães, Giannamaria Annunziato, Nina Franko, Marco Pieroni, Barbara Campanini, Agostino Bruno, Gabriele Costantino. jcisd, 58(3):710-723, 2018. [doi]

2014

Unbinding Pathways of VEGFR2 Inhibitors Revealed by Steered Molecular DynamicsAnna Maria Capelli, Gabriele Costantino. jcisd, 54(11):3124-3136, 2014. [doi]

2013

Use of Experimental Design To Optimize Docking Performance: The Case of LiGenDock, the Docking Module of Ligen, a New De Novo Design ProgramClaudia Beato, Andrea Beccari, Carlo Cavazzoni, Simone Lorenzi, Gabriele Costantino. jcisd, 53(6):1503-1517, 2013. [doi]

LiGen: A High Performance Workflow for Chemistry Driven de Novo DesignAndrea Beccari, Carlo Cavazzoni, Claudia Beato, Gabriele Costantino. jcisd, 53(6):1518-1527, 2013. [doi]

2009

2A Complex. An Atomistic Resolution Study of a Potential New Target in Psychiatric ConditionsAgostino Bruno, Antonio Entrena Guadix, Gabriele Costantino. jcisd, 49(6):1602-1616, 2009. [doi]

2006

Pharmacophore model for bile acids recognition by the FPR receptorCristina Ferrari, Antonio Macchiarulo, Gabriele Costantino, Roberto Pellicciari. jcamd, 20(5):295-303, 2006. [doi]

2004

Insights into Phenylalanine Derivatives Recognition of VLA-4 Integrin: From a Pharmacophoric Study to 3D-QSAR and Molecular Docking AnalysesAntonio Macchiarulo, Gabriele Costantino, Mirco Meniconi, Karin Pleban, Gerhard Ecker, Daniele Bellocchi, Roberto Pellicciari. jcisd, 44(5):1829-1839, 2004. [doi]

2002

Molecular dynamics simulation of the ligand binding domain of mGluR1 in response to agonist and antagonist bindingGabriele Costantino, Antonio Macchiarulo, Maxim Belenikin, Roberto Pellicciari. jcamd, 16(11):779-784, 2002. [doi]

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