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Project of the Computational Biophysics exam @ Unitn. We simulated the SARS-CoV-2 main protease Mpro with the H164N mutation in complex with two CG-376 ligands

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Peppone98/Mpro_H164N

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Mpro in complex with CG-376

The folder contains the report and a supplementary information file with data acquired thanks to the python code described in the report.

monomers A representation of the two monomeric units of Mpro

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Project of the Computational Biophysics exam @ Unitn. We simulated the SARS-CoV-2 main protease Mpro with the H164N mutation in complex with two CG-376 ligands

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