Conformational Sampling of Small Molecules With iCon: Performance Assessment in Comparison With OMEGA by Giulio Poli, Thomas Seidel, Thierry Langer

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Three-Dimensional Interactions Analysis of the Anticancer Target c-Src Kinase with Its Inhibitors by Vibhu Jha, Marco Macchia, Tiziano Tuccinardi, Giulio Poli

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Application of MM-PBSA Methods in Virtual Screening by Giulio Poli, Carlotta Granchi, Flavio Rizzolio, Tiziano Tuccinardi

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Three-Dimensional Analysis of the Interactions between hLDH5 and Its Inhibitors by Giulio Poli, Carlotta Granchi, Mohamed Aissaoui, Filippo Minutolo, Tiziano Tuccinardi

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Development of a cheminformatics platform for selectivity analyses of carbonic anhydrase inhibitors by Giulio Poli, Salvatore Galati, Adriano Martinelli, Claudiu T. Supuran, Tiziano Tuccinardi

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Recent Advances in In Silico Target Fishing by Salvatore Galati, Miriana Di Stefano, Elisa Martinelli, Giulio Poli, Tiziano Tuccinardi

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Mealworm (<i>Tenebrio molitor</i>): Potential and Challenges to Promote Circular Economy by Roberta Moruzzo, Francesco Riccioli, Salomon Espinosa Diaz, Chiara Secci, Giulio Poli, Simone Mancini

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An in silico toolbox for the prediction of the potential pathogenic effects of missense mutations in the dimeric region of hRPE65 by Giulio Poli, Gian Carlo Demontis, Andrea Sodi, Alessandro Saba, Stanislao Rizzo, Marco Macchia, Tiziano Tuccinardi

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VenomPred: A Machine Learning Based Platform for Molecular Toxicity Predictions by Salvatore Galati, Miriana Di Stefano, Elisa Martinelli, Marco Macchia, Adriano Martinelli, Giulio Poli, Tiziano Tuccinardi

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Discovery of Novel µ-Opioid Receptor Inverse Agonist from a Combinatorial Library of Tetrapeptides through Structure-Based Virtual Screening by Giulio Poli, Marilisa Pia Dimmito, Adriano Mollica, Gokhan Zengin, Sandor Benyhe, Ferenc Zador, Azzurra Stefanucci

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Predicting potentially pathogenic effects of hRPE65 missense mutations: a computational strategy based on molecular dynamics simulations by Giulio Poli, Ivana Barravecchia, Gian Carlo Demontis, Andrea Sodi, Alessandro Saba, Stanislao Rizzo, Marco Macchia, Tiziano Tuccinardi

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Aldose Reductase Differential Inhibitors in Green Tea by Francesco Balestri, Giulio Poli, Carlotta Pineschi, Roberta Moschini, Mario Cappiello, Umberto Mura, Tiziano Tuccinardi, Antonella Del Corso

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Identification of Human Dihydroorotate Dehydrogenase Inhibitor by a Pharmacophore-Based Virtual Screening Study by Salvatore Galati, Stefano Sainas, Marta Giorgis, Donatella Boschi, Marco L. Lolli, Gabriella Ortore, Giulio Poli, Tiziano Tuccinardi

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Development of terphenyl-2-methyloxazol-5(4H)-one derivatives as selective reversible MAGL inhibitors by Carlotta Granchi, Isabella Caligiuri, Eleonora Bertelli, Giulio Poli, Flavio Rizzolio, Marco Macchia, Adriano Martinelli, Filippo Minutolo, Tiziano Tuccinardi

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Design, Synthesis, Docking Studies and Monoamine Oxidase Inhibition of a Small Library of 1-acetyl- and 1-thiocarbamoyl-3,5-diphenyl-4,5-dihydro-(1<i>H</i>)-pyrazoles by Paolo Guglielmi, Simone Carradori, Giulio Poli, Daniela Secci, Roberto Cirilli, Giulia Rotondi, Paola Chimenti, Anél Petzer, Jacobus P. Petzer

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Discovery of Monoacylglycerol Lipase (MAGL) Inhibitors Based on a Pharmacophore-Guided Virtual Screening Study by Vibhu Jha, Marzia Biagi, Valeria Spinelli, Miriana Di Stefano, Marco Macchia, Filippo Minutolo, Carlotta Granchi, Giulio Poli, Tiziano Tuccinardi

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Identification of New GSK3β Inhibitors through a Consensus Machine Learning-Based Virtual Screening by Salvatore Galati, Miriana Di Stefano, Simone Bertini, Carlotta Granchi, Antonio Giordano, Francesca Gado, Marco Macchia, Tiziano Tuccinardi, Giulio Poli

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Dissecting the Activity of Catechins as Incomplete Aldose Reductase Differential Inhibitors through Kinetic and Computational Approaches by Francesco Balestri, Giulio Poli, Lucia Piazza, Mario Cappiello, Roberta Moschini, Giovanni Signore, Tiziano Tuccinardi, Umberto Mura, Antonella Del Corso

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Binding investigation and preliminary optimisation of the 3-amino-1,2,4-triazin-5(2H)-one core for the development of new Fyn inhibitors by Giulio Poli, Margherita Lapillo, Carlotta Granchi, Jessica Caciolla, Nayla Mouawad, Isabella Caligiuri, Flavio Rizzolio, Thierry Langer, Filippo Minutolo, Tiziano Tuccinardi

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Synthesis and Biological Evaluation of New Glycoconjugated LDH Inhibitors as Anticancer Agents by Felicia D’Andrea, Giulia Vagelli, Carlotta Granchi, Lorenzo Guazzelli, Tiziano Tuccinardi, Giulio Poli, Dalila Iacopini, Filippo Minutolo, Valeria Di Bussolo

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