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Advanced Drug Delivery Reviews|January 21, 2012
Improving the prediction of the brain disposition for orally administered drugs using BDDCSFabio Broccatelli, Caroline A Larregieu, Gabriele Cruciani, et al.Plos Computational Biology|June 30, 2017
Detecting similar binding pockets to enable systems polypharmacologyMiquel Duran-Frigola, Lydia Siragusa, Eytan Ruppin, et al.Protein Science : a Publication of the Protein Society|November 18, 2025
Selection of short Gadd45β-binding peptides through a synergistic computational and biophysical approachSamuele Di Cristofano, Emanuela Iaccarino, Andrea Caporale, et al.Journal of Medicinal Chemistry|April 2, 2005
Predicting human serum albumin affinity of interleukin-8 (CXCL8) inhibitors by 3D-QSPR approachLoretta Aureli, Gabriele Cruciani, Maria Candida Cesta, et al.European Journal of Medicinal Chemistry|July 17, 2010
Extending pKa prediction accuracy: high-throughput pKa measurements to understand pKa modulation of new chemical seriesFrancesca Milletti, Loriano Storchi, Laura Goracci, et al.Plos One|October 30, 2014
BioGPS descriptors for rational engineering of enzyme promiscuity and structure based bioinformatic analysisValerio Ferrario, Lydia Siragusa, Cynthia Ebert, et al.Antimicrobial Agents and Chemotherapy|August 22, 2012
Human cytomegalovirus inhibitor AL18 also possesses activity against influenza A and B virusesGiulia Muratore, Beatrice Mercorelli, Laura Goracci, et al.ACS Medicinal Chemistry Letters|April 19, 2019
Discovering New Casein Kinase 1d Inhibitors with an Innovative Molecular Dynamics Enabled Virtual Screening WorkflowSimone Sciabola, Paolo Benedetti, Giulia D'Arrigo, et al.European Journal of Medicinal Chemistry|March 31, 2004
Structure-based rationalization of antitumor drugs mechanism of action by a MIF approachGabriele Cruciani, Paolo Benedetti, Gianluigi Caltabiano, et al.Journal of Chemical Information and Modeling|June 13, 2022
CROMATIC: <i>Cro</i>ss-Relationship <i>Ma</i>p of Cavi<i>ti</i>es from <i>C</i>oronavirusesLydia Siragusa, Gabriele Menna, Fabrizio Buratta, et al.Pageof 19