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    Limongelli’s Research Group (LRG) - Investigation of biomolecular systems

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    The Limongelli’s Research Group (LRG) focuses on investigation of biomolecular systems with relevant pharmacological activity and impact via advanced computational tools, such as docking, molecular dynamics (MD) and metadynamics (MetaD) calculations.

    Competencies
    • Data Science
    • Drug Development
    Competencies (detailed)
    • Computational pharmacology (e.g. Development of molecular binding model - Drug design - Virtual Screening)
    • Application of advanced computational techniques (metadynamics, umbrella sampling etc.) for computing free energy surface of processes of biological interest
    • Use of advanced computational techniques for computing binding free energy and kinetics of systems of biological interest
    • Study of the conformational changes in biosystems (e.g. kinases, GltPh, adrenergic receptors) in their apo states and during the ligand binding
    Group leader
    Vittorio Limongelli
    Academic institution
    USI - Università della Svizzera italiana
    Location

    Via la Santa 1, Lugano, Switzerland

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