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Journal of Chemical Theory and Computation|November 26, 2015
DFT and Proton Transfer Reactions: A Benchmark Study on Structure and KineticsGiuseppe Felice Mangiatordi, Eric Brémond, Carlo Adamo
The Journal of Physical Chemistry. A|March 9, 2011
Modeling proton transfer in imidazole-like dimers: a density functional theory studyGiuseppe Felice Mangiatordi, Jessica Hermet, Carlo Adamo
Methods in Molecular Biology (Clifton, N.J.)|June 18, 2016
A Round Trip from Medicinal Chemistry to Predictive ToxicologyGiuseppe Felice Mangiatordi, Angelo Carotti, Ettore Novellino, et al.
Frontiers in Chemistry|December 11, 2020
Repurposing Known Drugs as Covalent and Non-covalent Inhibitors of the SARS-CoV-2 Papain-Like ProteasePietro Delre, Fabiana Caporuscio, Michele Saviano, et al.
Expert Opinion on Drug Discovery|August 18, 2017
Ligand efficiency metrics in drug discovery: the pros and cons from a practical perspectiveMaria Maddalena Cavalluzzi, Giuseppe Felice Mangiatordi, Orazio Nicolotti, et al.
International Journal of Molecular Sciences|July 16, 2016
Human Aquaporin-4 and Molecular Modeling: Historical Perspective and View to the FutureGiuseppe Felice Mangiatordi, Domenico Alberga, Daniela Trisciuzzi, et al.
Langmuir : the ACS Journal of Surfaces and Colloids|September 15, 2015
Effects of different self-assembled monolayers on thin-film morphology: a combined DFT/MD simulation protocolDomenico Alberga, Giuseppe Felice Mangiatordi, Alessandro Motta, et al.
Toxicological Sciences : an Official Journal of the Society of Toxicology|October 30, 2018
Prediction of Acute Oral Systemic Toxicity Using a Multifingerprint Similarity ApproachDomenico Alberga, Daniela Trisciuzzi, Kamel Mansouri, et al.
Physical Chemistry Chemical Physics : PCCP|June 19, 2012
Charge transport in poly-imidazole membranes: a fresh appraisal of the Grotthuss mechanismGiuseppe Felice Mangiatordi, Valeria Butera, Nino Russo, et al.
Molecular Biosystems|August 10, 2010
CoCoCo: a free suite of multiconformational chemical databases for high-throughput virtual screening purposesAlberto Del Rio, Arménio Jorge Moura Barbosa, Fabiana Caporuscio, et al.
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