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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.
International Journal of Biological Macromolecules|July 2, 2023
NLRP3 monomer functional dynamics: From the effects of allosteric binding to implications for drug designEmanuele Casali, Stefano A Serapian, Eleonora Gianquinto, et al.
Proceedings of the National Academy of Sciences of the United States of America|October 24, 2009
Ligand migration through the internal hydrophobic cavities in human neuroglobinStefania Abbruzzetti, Serena Faggiano, Stefano Bruno, et al.
Journal of Biomolecular Structure & Dynamics|January 16, 2018
Human dopamine transporter: the first implementation of a combined in silico/in vitro approach revealing the substrate and inhibitor specificitiesTeodora Djikic, Yasmina Martí, 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.
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.
IUBMB Life|October 29, 2011
Oxygen and nitric oxide rebinding kinetics in nonsymbiotic hemoglobin AHb1 from Arabidopsis thalianaStefania Abbruzzetti, Serena Faggiano, Francesca Spyrakis, et al.
Biochimica Et Biophysica Acta|October 14, 2010
Ligand migration and hexacoordination in type 1 non-symbiotic rice hemoglobinNitin Kumar Bisht, Stefania Abbruzzetti, Sheetal Uppal, et al.
International Journal of Molecular Sciences|April 5, 2020
Iron Metabolism at the Interface between Host and Pathogen: From Nutritional Immunity to Antibacterial DevelopmentMarialaura Marchetti, Omar De Bei, Stefano Bettati, et al.
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