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    12 repositories

    • AlphaFold-IDP

      Public
      This repository provides with custom code and analysis scripts to generate structural ensembles of intrinsically disordered proteins by using AlphaFold generate…
      Jupyter Notebook
      •
      GNU General Public License v3.0
      •5•23•0•0•Updated Oct 31, 2025Oct 31, 2025

    • AlphaFold-MetaInference-Tutorial

      Public
      Jupyter Notebook
      •1•10•0•0•Updated Oct 31, 2025Oct 31, 2025

    • OpenMM-Plumed-MPI

      Public
      C++
      •1•6•0•0•Updated Mar 30, 2025Mar 30, 2025

    • PEABS-LC-MS

      Public
      tools for quantitative analysis of intact protein LC-MS for PEABS
      Python
      •
      GNU General Public License v3.0
      •1•0•0•0•Updated Feb 19, 2024Feb 19, 2024

    • ab42-kinetic-ensemble

      Public
      Code for "A kinetic ensemble of the Alzheimer's Aβ peptide"
      Jupyter Notebook
      •
      GNU General Public License v3.0
      •4•6•0•0•Updated Jul 14, 2022Jul 14, 2022

    • sdab-entropy

      Public
      Comparison of the conformational entropy of designed and natural nanobodies
      Jupyter Notebook
      •0•3•0•0•Updated May 25, 2022May 25, 2022

    • ab42-g5-ensemble

      Public
      Code for "A small molecule stabilises the disordered native state of the Alzheimer’s Aβ peptide"
      Jupyter Notebook
      •
      GNU General Public License v3.0
      •1•3•0•0•Updated May 24, 2022May 24, 2022

    • IAPP

      Public
      Shell
      •0•0•0•0•Updated May 4, 2022May 4, 2022

    • tau-microtubules

      Public
      Shell
      •0•0•0•0•Updated Mar 8, 2022Mar 8, 2022

    • Spike-OpeningTransitionEnsemble

      Public
      GROMACS-PLUMED input and analysis in manuscript "Determination of Intermediate State Structures in the Opening Pathway of SARS-CoV-2 Spike Using Cryo-Electron M…
      GNU General Public License v3.0
      •0•2•1•0•Updated Nov 25, 2020Nov 25, 2020

    • amyloid-beta_small_mol

      Public
      Mathematica
      •3•4•0•0•Updated Nov 1, 2020Nov 1, 2020

    • c-myc_small_mol

      Public
      These are the minimum input files required to rerun the simulations in Heller et al, Journal of Molecular Biology, 2017.
      1•0•0•0•Updated Apr 25, 2019Apr 25, 2019
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