Giada De Simone

In Silico Insights towards the Identification of NLRP3 Druggable Hot Spots

Nedra Mekni, Maria De Rosa, Chiara Cipollina et al. · International Journal of Molecular Sciences · 2019 · 27 citations · Full text

EMBER—Embedding Multiple Molecular Fingerprints for Virtual Screening

Isabella Mendolia, Salvatore Contino, Giada De Simone et al. · International Journal of Molecular Sciences · 2022 · 21 citations · Full text

Engineering, Machine Learning, Hit Identification +20

Effect of the Initial Synaptic State on the Probability to Induce Long-Term Potentiation and Depression

Michele Migliore, Giada De Simone, Rosanna Migliore · Biophysical Journal · 2015 · 18 citations · Full text

Synaptic Plasticity, Neurobiological Mechanism, Neurodynamics +11

A community effort in SARS‐CoV‐2 drug discovery

Johannes Schimunek, Philipp Seidl, Katarina Elez et al. · Molecular Informatics · 2023 · 17 citations · Full text

Community Effort, Drug Target, Billion Molecules +13

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

Giada De Simone, Davide Stefano Sardina, Maria Rita Gulotta et al. · Scientific Reports · 2022 · 11 citations · Full text