10 December 2018

• Luigi Leanza. Molecular modelling to investigate relationships between protein conformation and aggregation tendency in neurodegenerative diseases. Rel. Marco Agostino Deriu, Umberto Morbiducci, Jacek Adam Tuszynski. Politecnico di Torino, Master of science program in Biomedical Engineering, 2018
  

  

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4 April 2019

• Antonio Rocca. Characterization of Novel Colchicine Derivatives to Selectively Inhibit Tubulin Polymerization in Humans. Rel. Marco Agostino Deriu, Umberto Morbiducci, Jacek Adam Tuszynski. Politecnico di Torino, Master of science program in Biomedical Engineering, 2019
  

  

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• Lorenzo Pallante. Human Tubulin Conformational Dynamics and Global Correlations Driven by Colchicine Binding. Rel. Marco Agostino Deriu, Umberto Morbiducci, Jacek Adam Tuszynski. Politecnico di Torino, Master of science program in Biomedical Engineering, 2019
  

  

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• Giacomo Nanni. Membrane Electroporation Study by All-atom and Coarsed-grained Molecular Dynamics: from Pore Formation to Cell Penetrating Peptides Translocation. Rel. Marco Agostino Deriu, Umberto Morbiducci, Jacek Adam Tuszynski. Politecnico di Torino, Master of science program in Biomedical Engineering, 2019
  

  

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• Stefano Mercuri. Molecular Level Investigation of Cell Penetrating Peptide Adsoption on Silica Surfaces by Classical and Enhanced Sampling Techniques. Rel. Marco Agostino Deriu, Umberto Morbiducci, Jacek Adam Tuszynski. Politecnico di Torino, Master of science program in Biomedical Engineering, 2019
  

  

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• Filip Stojceski. Molecular and coarse grained modelling to characterize and optimize dendrimer-based nanocarriers for siRNA delivery. Rel. Marco Agostino Deriu, Umberto Morbiducci. Politecnico di Torino, Master of science program in Biomedical Engineering, 2019
  

  

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• Alessia Chiaro. Molecular modelling to tailor glicodendrimers as drug delivery systems for anticancer nucleoside analogues targeting haematological malignancies. Rel. Marco Agostino Deriu, Umberto Morbiducci. Politecnico di Torino, Master of science program in Biomedical Engineering, 2019
  

  

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• Chiara Lionello. The impact of amyloid beta assembly on membrane conformational stability and dynamics. Rel. Marco Agostino Deriu, Umberto Morbiducci, Jacek Adam Tuszynski. Politecnico di Torino, Master of science program in Biomedical Engineering, 2019
  

  

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22 July 2019

• Michela Sperti. Cardiovascular Risk Prediction in Rheumatic Patients by Artificial Intelligence Paradigms. Rel. Marco Agostino Deriu, Alberto Audenino. Politecnico di Torino, Master of science program in Biomedical Engineering, 2019
  

  

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• Hedyeh Khoshkhoo Gilvaei. Computational Investigation of Ska Complex-Tubulin Molecular Interactions to Shed Light on Force Generation Mechanisms in Kinetochore-Microtubule Junctions. Rel. Jacek Adam Tuszynski, Marco Agostino Deriu. Politecnico di Torino, Master of science program in Biomedical Engineering, 2019
  

  

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• Marcello Miceli. Prediction of ultrasonic wave driven conformational dynamics of amyloid protein assemblies by molecular modelling. Rel. Marco Agostino Deriu, Umberto Morbiducci. Politecnico di Torino, Master of science program in Biomedical Engineering, 2019
  

  

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23 October 2019

• Simone Borrelli. Molecular characterization of calnexin and FABP5 proteins to design strategies for novel effective inhibitors targeting secondary brain cancer. Rel. Marco Agostino Deriu, Jacek Adam Tuszynski, Umberto Morbiducci. Politecnico di Torino, Master of science program in Biomedical Engineering, 2019
• Eric Adriano Zizzi. Predicting the Interaction between Volatile Anesthetics and Cytoskeleton Proteins by Molecular Modelling. Rel. Jacek Adam Tuszynski, Marco Agostino Deriu, Marco Cavaglia'. Politecnico di Torino, Master of science program in Biomedical Engineering, 2019

10 December 2019

• Vincenzo Caroprese. MODEL SYSTEMS TO UNDERSTAND COMPLEX MULTIVALENCY. Rel. Marco Agostino Deriu. Politecnico di Torino, Master of science program in Biomedical Engineering, 2019
• Valentina Ripa. Molecular modelling to investigate tubulin conformational dynamics driven by antimitotic agents. Rel. Marco Agostino Deriu. Politecnico di Torino, Master of science program in Biomedical Engineering, 2019
  

  

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30 March 2020

• Arianna Di Gregorio. Fragmented Molecular Docking to Rationally Improve the Accuracy of Blind Ligand-Receptor Binding Prediction. Rel. Marco Agostino Deriu. Politecnico di Torino, Master of science program in Biomedical Engineering, 2020
  

  

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• Marta Malavolta. Ligand-Driven Dynamics of Human Taste Receptors by Molecular Modelling. Rel. Marco Agostino Deriu, Lorenzo Pallante, Jacek Adam Tuszynski. Politecnico di Torino, Master of science program in Biomedical Engineering, 2020

21 October 2020

• Angela Ferrara. Identificazione e progettazione di agonisti dei canali del calcio per migliorare l'effetto degli anticorpi monoclonali anti-CD20 per il linfoma non Hodgkin CD20 positivo e la leucemia linfocitica cronica = Computer-aided drug design of Ca2+ agonists to enhance the effect of anti-CD20 monoclonal antibodies for CD20-positive non-Hodgkin’s lymphoma and chronic lymphocytic leukemia. Rel. Marco Agostino Deriu. Politecnico di Torino, Master of science program in Biomedical Engineering, 2020
  

  

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16 December 2020

• Silvia Balachia. Insights into Promiscuous and Selective Nature of Human Bitter Taste Receptors by Molecular Modelling. Rel. Marco Agostino Deriu, Lorenzo Pallante, Marta Malavolta. Politecnico di Torino, Master of science program in Biomedical Engineering, 2020
• Cristina Caruso. Prediction of Drug-Target Unbinding Kinetics by Molecular Simulations. Rel. Marco Agostino Deriu. Politecnico di Torino, Master of science program in Biomedical Engineering, 2020

19 July 2021

• Riccardo Tortarolo. Conformational Dynamics and Molecular Characterization of MORN motifs to shed light on homophilic interactions driving the formation of protein macromolecular superassemblies. Rel. Marco Agostino Deriu, Marcello Miceli. Politecnico di Torino, Master of science program in Biomedical Engineering, 2021
  

  

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• Marco Cannariato. Molecular Dynamics of the Alsin DH/PH domain toward a better understanding of Infantile-onset Ascending Hereditary Spastic Paraplegia. Rel. Marco Agostino Deriu, Marcello Miceli. Politecnico di Torino, Master of science program in Biomedical Engineering, 2021
  

  

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20 October 2021

• Xhesika Hada. Molecular mechanics-driven comparative analysis of protein-ligand binding pockets to investigate the relationship between taste perception and metabolic pathways. Rel. Marco Agostino Deriu, Eric Adriano Zizzi. Politecnico di Torino, Master of science program in Biomedical Engineering, 2021
  

  

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15 December 2021

• Paola Vottero. Determination of the binding sites and binding modes of gatastatin and its novel derivatives. Rel. Jacek Adam Tuszynski, Marco Agostino Deriu. Politecnico di Torino, Master of science program in Biomedical Engineering, 2021
  

  

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• Francesca Donatella Donato. Insight into the human sour taste receptor: a molecular modelling study on the Otopetrin family candidates. Rel. Marco Agostino Deriu, Lorenzo Pallante. Politecnico di Torino, Master of science program in Biomedical Engineering, 2021
  

  

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• Juan Antonio Di Lorenzo. Machine learning-driven prediction of chemical compound sweetness based on molecular descriptors. Rel. Marco Agostino Deriu, Lorenzo Pallante, Marta Malavolta. Politecnico di Torino, Master of science program in Biomedical Engineering, 2021
  

  

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• Alessandro Leoni. Molecular dynamics investigation of the human epithelial sodium channel behaviour in salty taste recognition. Rel. Marco Agostino Deriu, Lorenzo Pallante. Politecnico di Torino, Master of science program in Biomedical Engineering, 2021
  

  

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26 July 2022

• Ehsan Safaeeardebili. Analysis of CD147 inhibitors such as ivermectin, azithromycin with respect to their potential therapeutic use against the emerging COVID mutations. Rel. Jacek Adam Tuszynski, Marco Agostino Deriu. Politecnico di Torino, Master of science program in Mechanical Engineering, 2022
  

  

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27 July 2022

• Giada Giannone. Machine Learning Driven Diagnostic and Prognostic Tools Targeting Rheumatology. Rel. Marco Agostino Deriu, Michela Sperti. Politecnico di Torino, Master of science program in Biomedical Engineering, 2022

26 October 2022

• Tommaso Bono. Computational design of novel PROTAC structures targeting the KRAS pathway. Rel. Jacek Adam Tuszynski, Marco Agostino Deriu. Politecnico di Torino, Master of science program in Biomedical Engineering, 2022
  

  

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• Benedetta Morabito. Computational evaluation of a panel of combretastatin compounds as warheads for PROTAC design targeting β tubulin isoforms. Rel. Jacek Adam Tuszynski, Marco Agostino Deriu. Politecnico di Torino, Master of science program in Biomedical Engineering, 2022
  

  

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• Chiara Uliveto. Design and testing of novel Proteolysis-targeting chimera (PROTAC) construct for brain cancer therapy. Rel. Jacek Adam Tuszynski, Marco Agostino Deriu. Politecnico di Torino, Master of science program in Biomedical Engineering, 2022
  

  

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• Domiziano Doria. Drug discovery to inhibits processes lead by α5β1-fibronectin interaction. Rel. Jacek Adam Tuszynski, Marco Agostino Deriu. Politecnico di Torino, Master of science program in Biomedical Engineering, 2022
  

  

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• Gea Carena. Improving PROTAC aided protein degradation of Estrogen Receptor through linker composition and affinity. Rel. Jacek Adam Tuszynski, Marco Agostino Deriu. Politecnico di Torino, Master of science program in Biomedical Engineering, 2022

14 December 2022

• Giulia Pozzati. Computational design of novel PROTAC structures targeting the p53 mutants for degradation. Rel. Jacek Adam Tuszynski, Marco Agostino Deriu. Politecnico di Torino, Master of science program in Biomedical Engineering, 2022

23 March 2023

• Luca Congiu. Computational investigation on the link between hyperphosphorylation of MAP Tau and melatonin binding in Alzheimer's disease. Rel. Jacek Adam Tuszynski, Marco Agostino Deriu. Politecnico di Torino, Master of science program in Biomedical Engineering, 2023
  

  

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• Pompeo Marco Gaudiosi. Computational modeling of fibronectin, integrin and their complexes: search for inhibitors of its interactions with integrins. Rel. Jacek Adam Tuszynski, Marco Agostino Deriu. Politecnico di Torino, Master of science program in Biomedical Engineering, 2023
  

  

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• Alexia Moracchiato. Computational modeling of the heat shock protein HSP90 alpha and a search for its small molecule inhibitors. Rel. Jacek Adam Tuszynski, Marco Agostino Deriu, Maral Aminpour. Politecnico di Torino, Master of science program in Biomedical Engineering, 2023
  

  

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24 October 2023

• Riccardo Fanunza. Molecular Dynamics and Network-based investigation of human bitter taste receptors activation: the case of TAS2R46. Rel. Marco Agostino Deriu, Lorenzo Pallante, Marco Cannariato. Politecnico di Torino, Master of science program in Biomedical Engineering, 2023

13 December 2023

• Elena Buscemi. Computational Multiscale Modelling to Shed Light into Actin Isoforms Distinctive Properties. Rel. Marco Agostino Deriu, Marco Cannariato. Politecnico di Torino, Master of science program in Biomedical Engineering, 2023
• Alessia Mengoni. Development and optimization of a dynamic bioreactor for cell culture on PLA scaffolds for bone tissue engineering. Rel. Marco Agostino Deriu. Politecnico di Torino, Master of science program in Biomedical Engineering, 2023
• Ginevra De Masi. Josephin Domain Conformational Dynamics explored by Coarse-Grained Molecular Modeling and Enhanced Sampling targeting novel Insight into the Onset and Evolution of Ataxia-3 Pathology  . Rel. Marco Agostino Deriu, Marcello Miceli. Politecnico di Torino, Master of science program in Biomedical Engineering, 2023

25 March 2024

• Francesco Ferri. Explainable Prediction of Protein-Ligand Interaction in Bitter Taste using Classical Machine Learning and Graph Neural Networks. Rel. Marco Agostino Deriu, Lorenzo Pallante, Marco Cannariato. Politecnico di Torino, Master of science program in Biomedical Engineering, 2024
  
• Valentina Sedda. Impact of Histone Acetylation on Chromatin Folding: Insight from Molecular Modeling at Multiple Scales. Rel. Marco Agostino Deriu, Marco Cannariato. Politecnico di Torino, Master of science program in Biomedical Engineering, 2024
  
• Silvia Vernuccio. Investigating the Impact of Lipid Composition on Mechanical Properties and Structural Parameters of Neuronal Membranes: A Molecular Dynamics Perspective. Rel. Marco Cavaglia', Marco Agostino Deriu, Eric Adriano Zizzi. Politecnico di Torino, Master of science program in Biomedical Engineering, 2024
  

  

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23 July 2024

• Simone Scalera. Computational insights on the role of metal ions as stabilizers for chaperone-amyloid interactions =. Rel. Marco Agostino Deriu, Marcello Miceli. Politecnico di Torino, Master of science program in Biomedical Engineering, 2024

10 December 2024

• Marco Carnaroli. Computational search for inhibitors of SOD1 mutant infectivity as potential therapeutics for ALS disease. Rel. Jacek Adam Tuszynski, Marco Agostino Deriu. Politecnico di Torino, Master of science program in Biomedical Engineering, 2024
  

  

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• Eugenio Aquila. In silico computational research of alpha tubulin inhibitors, their binding sites and comparison between human and plant organisms. Rel. Jacek Adam Tuszynski, Marco Agostino Deriu. Politecnico di Torino, Master of science program in Biomedical Engineering, 2024
  

  

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21 March 2025

• Greta Maria Grieco Nobile. Insights into Alpha-Synuclein/S100B Interactions in Parkinson’s Disease by Molecular Modelling. Rel. Marco Agostino Deriu, Marcello Miceli. Politecnico di Torino, Master of science program in Biomedical Engineering, 2025
  

  

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• Alessandra Di Loreto. Prediction of the effects of Volatile Anesthetics on GABAA receptor in complex with GABA by Molecular Modelling. Rel. Marco Agostino Deriu, Eric Adriano Zizzi. Politecnico di Torino, Master of science program in Biomedical Engineering, 2025
  

  

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4 December 2025

• Andrea Corda. Mapping of the biofunctional characterstics of Milk through Computational Modeling of its Chemical Landscape. Rel. Marco Agostino Deriu, Marcello Miceli, Eric Adriano Zizzi. Politecnico di Torino, Master of science program in Biomedical Engineering, 2025
• Giuseppe Cicero. Transformer-Based Prediction of Ligand–Receptor Dissociation Rates targeting Drug Discovery. Rel. Marco Agostino Deriu, Eric Adriano Zizzi. Politecnico di Torino, Master of science program in Biomedical Engineering, 2025

20 March 2026

• Sara Andreis. A Multiscale Model to assist the experimental Design and Optimization of pBAE Polymeric-based delivery systems for mRNA. Rel. Marco Agostino Deriu, Giovanni Dalmasso, Marcello Miceli, Cristina Fornaguera. Politecnico di Torino, Master of science program in Mathematical Engineering, 2026
  

1 April 2026

• Daniele Laterza. Explainability-driven hybrid machine learning modelling for prediction of major adverse cardiac events in coronary artery disease. Rel. Marco Agostino Deriu, Karim Kassem. Politecnico di Torino, Master of science program in Biomedical Engineering, 2026
• Alessio Bosticco. Machine Learning-Based Characterization of Functional Organization in the Chemical Space of Milk-Derived Peptides. Rel. Marco Agostino Deriu, Eric Adriano Zizzi, Marta Malavolta. Politecnico di Torino, Master of science program in Biomedical Engineering, 2026
• Debora Zangirolami. Machine Learning-Driven Risk Prediction in Kidney Transplantation. Rel. Marco Agostino Deriu, Alexandra Tsipourakis. Politecnico di Torino, Master of science program in Biomedical Engineering, 2026
• Vanessa Uleri. Natural vs. Synthetic Sex Hormones: A Comparative In Silico Analysis of Receptor Conformational Dynamics and Signaling Implications. Rel. Marco Agostino Deriu, Eric Adriano Zizzi. Politecnico di Torino, Master of science program in Biomedical Engineering, 2026
• Benedetta Gaspardo Moro. Radscale for Idiopathic Normal Pressure Hydrocephalus: Development of an Automated Morphological Analysis Pipeline for Clinical Decision Support. Rel. Marco Agostino Deriu, Syed Taimoor Hussain Shah, Karim Kassem. Politecnico di Torino, Master of science program in Biomedical Engineering, 2026