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Keyword: MOLECULAR DYNAMICS

Bitter taste receptors: molecular characterisation and functional investigation of the main receptor candidates [in collaboration with IDSIA – Lugano - Switzerland]  DERIU MARCO AGOSTINO  28- biomedica
Computational analysis of vinblastine interaction with tubulin to shed light on its anticancer effect  DERIU MARCO AGOSTINO  28- biomedica
Computational modeling of fibronectin and a search for small molecule inhibitors of its interactions with integrins  DERIU MARCO AGOSTINO  TUSZYNSKI JACEK ADAM  28- biomedica
Computational modeling of the heat shock protein HSP90 alpha and a search for its small molecule inhibitors  DERIU MARCO AGOSTINO  TUSZYNSKI JACEK ADAM  28- biomedica
Computer simulations of dynamically-reactive molecular systems  PAVAN GIOVANNI MARIA  COMPUTATIONAL PHYSICAL CHEMISTRY (CPC) LABORATORY
Conformational characterisation of the human sweet taste receptor empowered by computational modelling  DERIU MARCO AGOSTINO  28- biomedica
Machine learning approaches for the study of complex molecular systems  PAVAN GIOVANNI MARIA  COMPUTATIONAL PHYSICAL CHEMISTRY (CPC) LABORATORY
esteroTESI ALL'ESTERO Mass and heat transfer in nanoconstructs for energy and biomedical applications  ASINARI PIETRO  Multi-Scale Modeling Laboratory – SMaLL (www.polito.it/small)
Mechanisms and biophysical characterization applied to protein formulation development: understanding protein-excipient interactions via molecular simulations  PISANO ROBERTO  AA - MOLE (Molecular Engineering Lab)
azienda TESI AZIENDA esteroTESI ALL'ESTERO Modelling nanotoxicity of engineered nanomaterials by molecular dynamics simulations (Dublin)  ASINARI PIETRO  FASANO MATTEO  Multi-Scale Modeling Laboratory – SMaLL (www.polito.it/small)
azienda TESI AZIENDA esteroTESI ALL'ESTERO Modelling nanotoxicity of engineered nanomaterials by molecular dynamics simulations (Leiden)  ASINARI PIETRO  FASANO MATTEO  Multi-Scale Modeling Laboratory – SMaLL (www.polito.it/small)
Molecular Dynamics simulations of radiation damage in superconductors for fusion applications  LAVIANO FRANCESCO  TORSELLO DANIELE  AA - SM-MESH
Molecular Simulations in Pharmaceutical Manufacturing: Exploring Interfacial Phenomena and Process Optimization  PISANO ROBERTO  AA - MOLE (Molecular Engineering Lab)
Molecular dynamics for solid-liquid systems  BUFFO ANTONIO  AA - Multiscale modelling for materials science and process engineering
Molecular modeling of dynamic self-assembling materials with bioinspired properties  PAVAN GIOVANNI MARIA  COMPUTATIONAL PHYSICAL CHEMISTRY (CPC) LABORATORY
Molecular optimisation of the sour taste receptor candidates: a study on the Otopetrin family  DERIU MARCO AGOSTINO  28- biomedica
Molecular-based comparative analysis between taste receptors and human proteome to shed light on the hidden relationships among the complex taste pathway and beyond  DERIU MARCO AGOSTINO  28- biomedica
Multiscale modelling and artificial intelligence for the digitalization of the pharmaceutical, food and personal-care industries  BUFFO ANTONIO  MARCHISIO DANIELE  AA - Multiscale modelling for materials science and process engineering
Multiscale modelling and artificial intelligence for the digitalization of the pharmaceutical, food and personal-care industries  BUFFO ANTONIO  MARCHISIO DANIELE  AA - Multiscale modelling for materials science and process engineering
Structural refinement and characterisation of the human umami taste receptor: a molecular-modelling investigation study  DERIU MARCO AGOSTINO  28- biomedica
Unraveling the Self-Assembly of Lipid Nanoparticles for RNA and DNA Delivery: Insights from Molecular Simulation  PISANO ROBERTO


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