Publications by authors named "Giada De Simone"

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A community effort in SARS-CoV-2 drug discovery.
Johannes Schimunek, Philipp Seidl, Katarina Elez, Tim Hempel, Tuan Le, Simone Albani, Giada De Simone

Mol Inform· January 2024

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In-silico guided chemical exploration of KDM4A fragments hits.
Jessica Lombino, Rosario Vallone, Maura Cimino, Maria Rita Gulotta, Giada De Simone

Clin Epigenetics· December 2023

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Effect of bleaching treatments on the adhesion of orthodontic brackets: a systematic review.
Michela Boccuzzi, Alessandro Nota, Saverio Cosola, Giada De Simone, Rosa Iozzo

BMC Oral Health· October 2023

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KUALA: a machine learning-driven framework for kinase inhibitors repositioning.
Giada De Simone, Davide Stefano Sardina, Maria Rita Gulotta, Ugo Perricone

Sci Rep· October 2022

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EMBER-Embedding Multiple Molecular Fingerprints for Virtual Screening.
Isabella Mendolia, Salvatore Contino, Giada De Simone, Ugo Perricone, Roberto Pirrone

Int J Mol Sci· February 2022

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A Computer-Based Methodology to Design Non-Standard Peptides Potentially Able to Prevent HOX-PBX1-Associated Cancer Diseases.
Maria Rita Gulotta, Giada De Simone, Justin John, Ugo Perricone, Andrea Brancale

Int J Mol Sci· May 2021

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Dynamic-shared Pharmacophore Approach as Tool to Design New Allosteric PRC2 Inhibitors, Targeting EED Binding Pocket.
Jessica Lombino, Maria Rita Gulotta, Giada De Simone, Nedra Mekni, Maria De Rosa

Mol Inform· February 2021

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Targeting SARS-CoV-2 RBD Interface: a Supervised Computational Data-Driven Approach to Identify Potential Modulators.
Maria Rita Gulotta, Jessica Lombino, Ugo Perricone, Giada De Simone, Nedra Mekni

ChemMedChem· October 2020

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In Silico Insights towards the Identification of NLRP3 Druggable Hot Spots.
Nedra Mekni, Maria De Rosa, Chiara Cipollina, Maria Rita Gulotta, Giada De Simone

Int J Mol Sci· October 2019

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The possible consequences for cognitive functions of external electric fields at power line frequency on hippocampal CA1 pyramidal neurons.
Rosanna Migliore, Giada De Simone, Xavier Leinekugel, Michele Migliore

Eur J Neurosci· April 2017

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Effect of the initial synaptic state on the probability to induce long-term potentiation and depression.
Michele Migliore, Giada De Simone, Rosanna Migliore

Biophys J· March 2015

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