Publications by authors named "M Cespugli"

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Cavity-Based Discovery of New Fatty Acid Photodecarboxylases.
Stefan Simić, Marco Cespugli, Michael C Hetmann, Ursula Kahler, Valentina Jurkaš

Chembiochem· December 2024

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

Mol Inform· January 2024

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Identification and validation of fusidic acid and flufenamic acid as inhibitors of SARS-CoV-2 replication using DrugSolver CavitomiX.
M Hetmann, C Langner, V Durmaz, M Cespugli, K Köchl

Sci Rep· July 2023

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Optimizing variant-specific therapeutic SARS-CoV-2 decoys using deep-learning-guided molecular dynamics simulations.
Katharina Köchl, Tobias Schopper, Vedat Durmaz, Lena Parigger, Amit Singh, Marco Cespugli

Sci Rep· January 2023

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Rational Guidelines for the Two-Step Scalability of Enzymatic Polycondensation: Experimental and Computational Optimization of the Enzymatic Synthesis of Poly(glycerolazelate).
Anamaria Todea, Sara Fortuna, Cynthia Ebert, Fioretta Asaro, Stefano Tomada, Marco Cespugli

ChemSusChem· May 2022

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