Paola Gratteri

GRIND-derived pharmacophore model for a series of α-tropanyl derivative ligands of the sigma-2 receptor*

Maria Novella Romanelli, Gabriele Cruciani, Paola Gratteri, 2004, J. Comput. Aided Mol. Des..

Insights into the Conformational Switching Mechanism of the Human Vascular Endothelial Growth Factor Receptor Type 2 Kinase Domain

Simone Marsili, Piero Procacci, Paola Gratteri, 2012, J. Chem. Inf. Model..

FILO (Field Interaction Ligand Optimization): A simplex strategy for searching the optimal ligand interaction field in drug design

Paola Gratteri, Claudia Bonaccini, Fabrizio Melani, 2001, J. Comput. Aided Mol. Des..

Insights into docking and scoring neuronal α4β2 nicotinic receptor agonists using molecular dynamics simulations and QM/MM calculations

Andrea Cavalli, Giovanni Grazioso, Jacopo Sgrignani, 2009, Journal of computational chemistry.

Development and set-up of drug electroanalysis by experimental design : A survey

Sandra Furlanetto, Sergio Pinzauti, Paola Gratteri, 1996 .

Spectroscopic, molecular modeling, and NMR-spectroscopic investigation of the binding mode of the natural alkaloids berberine and sanguinarine to human telomeric G-quadruplex DNA.

Harald Schwalbe, Hendrik R A Jonker, Paola Gratteri, 2012, ACS chemical biology.

Field interaction and geometrical overlap: a new simplex and experimental design based computational procedure for superposing small ligand molecules.

Paola Gratteri, Claudia Bonaccini, Fabrizio Melani, 2003, Journal of medicinal chemistry.

The crystal structure of human telomeric DNA complexed with berberine: an interesting case of stacked ligand to G-tetrad ratio higher than 1:1

Paola Gratteri, Anna Rita Bilia, Carla Bazzicalupi, 2012, Nucleic acids research.