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  1. Mpro-_H172Y Mpro-_H172Y Public

    Forked from JanaShenLab/Mpro_H172Y

    Data and scripts related to the paper "How the H172Y mutation reduces the stability, activity, and antiviral susceptibility of SARS-CoV-2 main protease"

    Python

  2. test test Public

  3. mOR_fentanyl mOR_fentanyl Public

    Jupyter Notebook

  4. Residence-time-calculation-from-metadynamics Residence-time-calculation-from-metadynamics Public

    Postprocess metadynamics simulation data to estimate protein-ligand residence times

    Python