Giulia Rossetti
Juelich, NW 52428, Germany
Last Updated: 09/26/2026
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Found 126 publications
Structural determinants of Mac1 inhibition: Lessons from ligand binding patterns.
Journal: International journal of biological macromolecules
Published: June 18, 2026
MiMiCPy-FM: A User-Friendly Force Matching Tool for Extending the Time Scale of QM/MM MD MiMiC Simulations.
Journal: Journal of chemical information and modeling
Published: February 20, 2026
From Atoms to Neuronal Spikes: A Multiscale Simulation Framework.
Journal: Journal of chemical theory and computation
Published: January 13, 2026
Multiscale Computational Dissection of CCRL2-Mediated Chemerin Presentation.
Journal: Journal of chemical information and modeling
Published: December 11, 2025
From Atoms to Neuronal Spikes: A Multi-Scale Simulation Framework.
Journal: bioRxiv : the preprint server for biology
Published: November 24, 2025
Binding pose depth modulates photoswitchable ligands' efficacy at the 5-HT2A receptor.
Journal: Communications chemistry
Published: July 22, 2025
Fine tuning of long-range interactions to describe the binding of adamantane and diamantane derivatives to a Cucurbit[7]uril-based synthetic receptor: Insights from metadynamics simulations.
Journal: The Journal of chemical physics
Published: June 30, 2025
Design, Synthesis, and In Vitro Characterization of a Tryptamine-Based Visible-Light Photoswitchable 5-HT2AR Ligand Showing Efficacy Preference for β-Arrestin over Mini-Gq.
Journal: Journal of medicinal chemistry
Published: June 18, 2025
Genetic Variants and Clinical Phenotyping in 39 Pediatric Patients with Neuropathic Pain.
Journal: Neuropediatrics
Published: April 28, 2025
Structural Systems Biology Toolkit (SSBtoolkit): From Molecular Structure to Subcellular Signaling Pathways.
Journal: Journal of chemical information and modeling
Published: April 18, 2025
Screening assay to monitor mono-ADP-ribosylhydrolase activity of viral macrodomains in cells.
Journal: Communications biology
Published: March 26, 2025
Refining Ligand Poses in RNA/Ligand Complexes of Pharmaceutical Relevance: A Perspective by QM/MM Simulations and NMR Measurements.
Journal: The journal of physical chemistry letters
Published: February 10, 2025
Last Updated: 09/26/2026