Giulia Rossetti

The paper investigates how mutations in the hA2AR receptor affect ZM241385 dissociation by altering the interaction network involving water and membrane lipids.

This paper identifies PDE3A-SLFN12 molecular glues as a novel therapeutic target for KIT D816V-driven mast cell malignancies, showing their efficacy in killing multiple KIT D816V cell types and synergy with tyrosine kinase inhibitors.

This paper presents a multi-scale simulation framework that links molecular events in ion channels to neuronal excitability by coupling molecular dynamics with neuronal simulations.

This study identifies KIRA6 as a dual inhibitor of LYN and FYN that suppresses IgE-mediated mast cell activation and inflammation.

This study shows that cholesterol depletion alters Nav1.7 structure and function, affecting its gating and drug response, with implications for pain management.

The paper presents an AI-based method to identify novel chemotype ligands for GPCRs by combining structural data, a random forest classifier, and a kinetic model, demonstrating its effectiveness with a new antagonist for the adenosine A2A receptor.

The paper shows ephrinA5 reduces cell motility by decreasing Snhg15 expression, which lowers DNMT1 binding to the Ncam1 promoter, reducing methylation and increasing Ncam1 expression.

The paper introduces an open-source systems biology toolkit to simulate GPCR signal-transduction pathways using structural data and mathematical models.

The paper identifies and validates small-molecule inhibitors of TRMT2A that reduce polyQ aggregation and cell death in human cells.

The paper identifies 62 new inhibitors of SARS-CoV-2 3CL-Pro through a compound repurposing screen and validates their activity using X-ray crystallography.

This study uses top-down ETD and ion mobility to analyze gas-phase structures of heterogeneous protein ensembles, specifically the measles virus phosphoprotein X domain.