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Journal of Computational Chemistry|March 28, 2008
Energy-based prediction of amino acid-nucleotide base recognitionAnna Marabotti, Francesca Spyrakis, Angelo Facchiano, et al.Journal of Molecular Graphics & Modelling|June 9, 2004
Getting it right: modeling of pH, solvent and "nearly" everything else in virtual screening of biological targetsGlen E Kellogg, Micaela Fornabaio, Francesca Spyrakis, et al.European Journal of Medicinal Chemistry|March 10, 2007
The consequences of scoring docked ligand conformations using free energy correlationsFrancesca Spyrakis, Alessio Amadasi, Micaela Fornabaio, et al.Bioorganic & Medicinal Chemistry Letters|August 19, 2015
Expanding the chemical space of human serine racemase inhibitorsLuca Dellafiora, Marialaura Marchetti, Francesca Spyrakis, et al.Food and Chemical Toxicology : an International Journal Published for the British Industrial Biological Research Association|August 16, 2017
Molecular insights on xenoestrogenic potential of zearalenone-14-glucoside through a mixed in vitro/in silico approachLuca Dellafiora, Roberta Ruotolo, Alessio Perotti, et al.Journal of Molecular Graphics & Modelling|October 21, 2005
Tools for building a comprehensive modeling system for virtual screening under real biological conditions: The Computational Titration algorithmGlen E Kellogg, Micaela Fornabaio, Deliang L Chen, et al.Nutrients|May 5, 2019
Simulated Gastrointestinal Digestion of Cocoa: Detection of Resistant Peptides and In Silico/In Vitro Prediction of Their Ace Inhibitory ActivityAngela Marseglia, Luca Dellafiora, Barbara Prandi, et al.Computational Biology and Chemistry|October 1, 2013
Unintended consequences? Water molecules at biological and crystallographic protein-protein interfacesMostafa H Ahmed, Mesay Habtemariam, Martin K Safo, et al.ALTEX|May 19, 2015
Hazard assessment through hybrid in vitro / in silico approach: The case of zearalenoneVeronika A Ehrlich, Luca Dellafiora, Julie Mollergues, et al.Plos One|October 1, 2011
Bound water at protein-protein interfaces: partners, roles and hydrophobic bubbles as a conserved motifMostafa H Ahmed, Francesca Spyrakis, Pietro Cozzini, et al.Pageof 8