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  1. embedding embedding Public

    Supporting Information for "electrostatic embedding of machine learning potentials"

    Jupyter Notebook 6 1

  2. loop-dynamics loop-dynamics Public

    Supporting Information for "Loop opening and closing dynamics in enzymes..."

    Jupyter Notebook

  3. hASNaseIII hASNaseIII Public

    Supporting Information for "Elucidation of the Active Form and Reaction Mechanism in Human Asparaginase Type III Using Mulscale Simulations"

  4. ZikaNS3helicase ZikaNS3helicase Public

    Data availability

  5. gpASNaseI gpASNaseI Public

    Supporting Information for "Rationalization of the Enzymatic Properties of Guinea Pig L-Asparaginase type 1"

    Roff

  6. RhoA-p50RhoGAP RhoA-p50RhoGAP Public

    Supporting Information for "Exploring Reaction Mechanisms for GTP Hydrolysis in RhoA Protein. The Leading Role Glutamine Tautomerism"

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Showing 6 of 6 repositories
  • RhoA-p50RhoGAP Public

    Supporting Information for "Exploring Reaction Mechanisms for GTP Hydrolysis in RhoA Protein. The Leading Role Glutamine Tautomerism"

    emedio/RhoA-p50RhoGAP’s past year of commit activity
    0 0 0 0 Updated Nov 4, 2024
  • gpASNaseI Public

    Supporting Information for "Rationalization of the Enzymatic Properties of Guinea Pig L-Asparaginase type 1"

    emedio/gpASNaseI’s past year of commit activity
    Roff 0 0 0 0 Updated Oct 28, 2024
  • loop-dynamics Public

    Supporting Information for "Loop opening and closing dynamics in enzymes..."

    emedio/loop-dynamics’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Oct 11, 2024
  • ZikaNS3helicase Public

    Data availability

    emedio/ZikaNS3helicase’s past year of commit activity
    0 0 0 0 Updated Sep 29, 2023
  • hASNaseIII Public

    Supporting Information for "Elucidation of the Active Form and Reaction Mechanism in Human Asparaginase Type III Using Mulscale Simulations"

    emedio/hASNaseIII’s past year of commit activity
    0 0 0 0 Updated Jul 21, 2023
  • embedding Public

    Supporting Information for "electrostatic embedding of machine learning potentials"

    emedio/embedding’s past year of commit activity
    Jupyter Notebook 6 GPL-2.0 1 0 0 Updated Sep 23, 2022

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