In Silico Drug Design and Discovery: Big Data for Small Molecule Design von Carmen Cerchia, Antonio Lavecchia

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Deep generative models in the quest for anticancer drugs: ways forward von Virgilio Romanelli, Carmen Cerchia, Antonio Lavecchia

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Exploring Structural Relationships between Bioactive and Commercial Chemical Space and Developing Target Hypotheses for Compound Acquisition von Carmen Cerchia, Dilyana Dimova, Antonio Lavecchia, Jürgen Bajorath

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Editorial: Recent trends in anti-cancer drug discovery by in silico methods von Carmen Cerchia, Jose Correa Basurto, Angelo Lupo, Antonio Lavecchia

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Enhancing De Novo Drug Design across Multiple Therapeutic Targets with CVAE Generative Models von Virgilio Romanelli, Daniela Annunziata, Carmen Cerchia, Donato Cerciello, Francesco Piccialli, Antonio Lavecchia

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Cladosporols and PPARγ: Same Gun, Same Bullet, More Targets von Roberta Rapuano, Antonella Mercuri, Sabrina Dallavalle, Salvatore Moricca, Antonio Lavecchia, Angelo Lupo

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Novel Reversible Inhibitors of Xanthine Oxidase Targeting the Active Site of the Enzyme von Rosario Rullo, Carmen Cerchia, Rosarita Nasso, Virgilio Romanelli, Emmanuele De Vendittis, Mariorosario Masullo, Antonio Lavecchia

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In Silico Identification of Novel Inhibitors Targeting the Homodimeric Interface of Superoxide Dismutase from the Dental Pathogen <i>Streptococcus mutans</i> von Carmen Cerchia, Emanuela Roscetto, Rosarita Nasso, Maria Rosaria Catania, Emmanuele De Vendittis, Antonio Lavecchia, Mariorosario Masullo, Rosario Rullo

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A sulfonimide derivative of bezafibrate as a dual inhibitor of cyclooxygenase-2 and PPARα von Alessandra Ammazzalorso, Stefania Tacconelli, Annalisa Contursi, Ulrika Hofling, Carmen Cerchia, Sara Di Berardino, Alessandra De Michele, Rosa Amoroso, Antonio Lavecchia, Paola Patrignani

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Inhibition mechanism of naphthylphenylamine derivatives acting on the CDC25B dual phosphatase and analysis of the molecular processes involved in the high cytotoxicity exerted by o... von Federica Aliotta, Rosarita Nasso, Rosario Rullo, Alessandro Arcucci, Angelica Avagliano, Martina Simonetti, Gennaro Sanità, Mariorosario Masullo, Antonio Lavecchia, Maria Rosaria Ruocco, Emmanuele De Vendittis

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Activation of Non-Canonical Autophagic Pathway through Inhibition of Non-Integrin Laminin Receptor in Neuronal Cells von Adriana Limone, Iolanda Veneruso, Antonella Izzo, Maurizio Renna, Raffaella Bonavita, Silvia Piscitelli, Gaetano Calì, Sergio De Nicola, Patrizia Riccio, Valeria D’Argenio, Antonio Lavecchia, Daniela Sarnataro

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N-Formyl Peptide Receptors Induce Radical Oxygen Production in Fibroblasts Derived From Systemic Sclerosis by Interacting With a Cleaved Form of Urokinase Receptor von Filomena Napolitano, Francesca Wanda Rossi, Francesca Wanda Rossi, Ada Pesapane, Silvia Varricchio, Gennaro Ilardi, Massimo Mascolo, Stefania Staibano, Antonio Lavecchia, Pia Ragno, Carmine Selleri, Gianni Marone, Gianni Marone, Gianni Marone, Marco Matucci-Cerinic, Marco Matucci-Cerinic, Amato de Paulis, Amato de Paulis, Nunzia Montuori, Nunzia Montuori

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