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Computer-Aided Drug Design, Protein-Protein Interactions, Computational Chemistry, Molecular Modelling
Italy

Activities

Works (9)

KUALA: a machine learning-driven framework for kinase inhibitors repositioning

Scientific Reports
2022-10-25 | Journal article
Contributors: Giada De Simone; Davide Stefano Sardina; Maria Rita Gulotta; Ugo Perricone
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Galectin-9 and Interferon-Gamma Are Released by Natural Killer Cells upon Activation with Interferon-Alpha and Orchestrate the Suppression of Hepatitis C Virus Infection

Viruses
2022-07-14 | Journal article
Contributors: Anna Paola Carreca; Massimiliano Gaetani; Rosalia Busà; Maria Giovanna Francipane; Maria Rita Gulotta; Ugo Perricone; Gioacchin Iannolo; Giovanna Russelli; Claudia Carcione; Pier Giulio Conaldi et al.
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A Rational Design of α-Helix-Shaped Peptides Employing the Hydrogen-Bond Surrogate Approach: A Modulation Strategy for Ras-RasGRF1 Interaction in Neuropsychiatric Disorders

Pharmaceuticals
2021-10-28 | Journal article
Contributors: Maria Rita Gulotta; Riccardo Brambilla; Ugo Perricone; Andrea Brancale
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A Computer-Based Methodology to Design Non-Standard Peptides Potentially Able to Prevent HOX-PBX1-Associated Cancer Diseases

International Journal of Molecular Sciences
2021-05-26 | Journal article
Contributors: Maria Rita Gulotta; Giada De Simone; Justin John; Ugo Perricone; Andrea Brancale
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Exploring Molecular Contacts of MUC1 at CIN85 Binding Interface to Address Future Drug Design Efforts

International Journal of Molecular Sciences
2021-02-23 | Journal article
Contributors: Maria Rita Gulotta; Serena Vittorio; Rosaria Gitto; Ugo Perricone; Laura De Luca
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Targeting SARS‐CoV‐2 RBD Interface: a Supervised Computational Data‐Driven Approach to Identify Potential Modulators

ChemMedChem
2020-10-19 | Journal article
Contributors: Maria Rita Gulotta; Jessica Lombino; Ugo Perricone; Giada De Simone; Nedra Mekni; Maria De Rosa; Patrizia Diana; Alessandro Padova
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Exploring the SARS-CoV-2 Proteome in the Search of Potential Inhibitors via Structure-Based Pharmacophore Modeling/Docking Approach

Computation
2020-09-08 | Journal article
Contributors: Giulia Culletta; Maria Rita Gulotta; Ugo Perricone; Maria Zappalà; Anna Maria Almerico; Marco Tutone
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In Silico Insights towards the Identification of NLRP3 Druggable Hot Spots

International Journal of Molecular Sciences
2019-10-09 | Journal article
Contributors: Nedra Mekni; Maria De Rosa; Chiara Cipollina; Maria Rita Gulotta; Giada De Simone; Jessica Lombino; Alessandro Padova; Ugo Perricone
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An overview of recent molecular dynamics applications as medicinal chemistry tools for the undruggable site challenge

MedChemComm
2018 | Journal article
Contributors: Ugo Perricone; Maria Rita Gulotta; Jessica Lombino; Barbara Parrino; Stella Cascioferro; Patrizia Diana; Girolamo Cirrincione; Alessandro Padova
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Peer review (2 reviews for 2 publications/grants)

Review activity for ChemistrySelect (1)
Review activity for PloS one. (1)