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    6 repositories

    • RhoA-p50RhoGAP

      Public
      Supporting Information for "Exploring Reaction Mechanisms for GTP Hydrolysis in RhoA Protein. The Leading Role Glutamine Tautomerism"
      0•0•0•0•Updated Nov 4, 2024Nov 4, 2024

    • gpASNaseI

      Public
      Supporting Information for "Rationalization of the Enzymatic Properties of Guinea Pig L-Asparaginase type 1"
      Roff
      •0•0•0•0•Updated Oct 28, 2024Oct 28, 2024

    • loop-dynamics

      Public
      Supporting Information for "Loop opening and closing dynamics in enzymes..."
      Jupyter Notebook
      •0•0•0•0•Updated Oct 11, 2024Oct 11, 2024

    • ZikaNS3helicase

      Public
      Data availability
      0•0•0•0•Updated Sep 29, 2023Sep 29, 2023

    • hASNaseIII

      Public
      Supporting Information for "Elucidation of the Active Form and Reaction Mechanism in Human Asparaginase Type III Using Mulscale Simulations"
      0•0•0•0•Updated Jul 21, 2023Jul 21, 2023

    • embedding

      Public
      Supporting Information for "electrostatic embedding of machine learning potentials"
      Jupyter Notebook
      •
      GNU General Public License v2.0
      •1•6•0•0•Updated Sep 23, 2022Sep 23, 2022