Publications by authors named "Jonas GoSSen"

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Structural Systems Biology Toolkit (SSBtoolkit): From Molecular Structure to Subcellular Signaling Pathways.
Rui Pedro Ribeiro, Jonas Goßen, Giulia Rossetti, Alejandro Giorgetti

J Chem Inf Model· May 2025

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KIRA6 is an Effective and Versatile Mast Cell Inhibitor of IgE-mediated Activation.
Veronika Wunderle, Thomas Wilhelm, Shatha Boukeileh, Jonas Goßen, Michael A Margreiter

Eur J Immunol· February 2025

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A community effort in SARS-CoV-2 drug discovery.
Johannes Schimunek, Philipp Seidl, Katarina Elez, Tim Hempel, Tuan Le

Mol Inform· January 2024

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AI-based identification of therapeutic agents targeting GPCRs: introducing ligand type classifiers and systems biology.
Jonas Goßen, Rui Pedro Ribeiro, Dirk Bier, Bernd Neumaier, Paolo Carloni

Chem Sci· August 2023

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Multiple Poses and Thermodynamics of Ligands Targeting Protein Surfaces: The Case of Furosemide Binding to mitoNEET in Aqueous Solution.
Linh Gia Hoang, Jonas Goßen, Riccardo Capelli, Toan T Nguyen, Zhaoxi Sun

Front Cell Dev Biol· April 2022

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A Blueprint for High Affinity SARS-CoV-2 Mpro Inhibitors from Activity-Based Compound Library Screening Guided by Analysis of Protein Dynamics.
Jonas Gossen, Simone Albani, Anton Hanke, Benjamin P Joseph, Cathrine Bergh

ACS Pharmacol Transl Sci· June 2021

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Identification of Inhibitors of SARS-CoV-2 3CL-Pro Enzymatic Activity Using a Small Molecule in Vitro Repurposing Screen.
Maria Kuzikov, Elisa Costanzi, Jeanette Reinshagen, Francesca Esposito, Laura Vangeel, Jonas Gossen

ACS Pharmacol Transl Sci· June 2021

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Combining Different Docking Engines and Consensus Strategies to Design and Validate Optimized Virtual Screening Protocols for the SARS-CoV-2 3CL Protease.
Candida Manelfi, Jonas Gossen, Silvia Gervasoni, Carmine Talarico, Simone Albani

Molecules· February 2021

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Chiral Analogues of PFI-1 as BET Inhibitors and Their Functional Role in Myeloid Malignancies.
Bianca Altenburg, Marcus Frings, Jan-Hendrik Schöbel, Jonas Goßen, Kristina Pannen

ACS Med Chem Lett· October 2020

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