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ORCIDGabriele Costantino
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2010 – 2019
- 2018
[j8]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): 710-723 (2018)- 2014
- [j7]Anna Maria Capelli, Gabriele Costantino:
Unbinding Pathways of VEGFR2 Inhibitors Revealed by Steered Molecular Dynamics. J. Chem. Inf. Model. 54(11): 3124-3136 (2014) - 2013
- [j6]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): 1503-1517 (2013) - [j5]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): 1518-1527 (2013)
2000 – 2009
- 2009
- [j4]Agostino Bruno, Antonio Entrena Guadix, Gabriele Costantino:
Molecular Dynamics Simulation of the Heterodimeric mGluR2/5HT2A Complex. An Atomistic Resolution Study of a Potential New Target in Psychiatric Conditions. J. Chem. Inf. Model. 49(6): 1602-1616 (2009) - 2006
- [j3]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): 295-303 (2006) - 2004
- [j2]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): 1829-1839 (2004) - 2002
- [j1]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): 779-784 (2002)
Coauthor Index
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