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  1. ab42-kinetic-ensemble ab42-kinetic-ensemble Public

    Code for "A kinetic ensemble of the Alzheimer's Aβ peptide"

    Jupyter Notebook 5 3

  2. sdab-entropy sdab-entropy Public

    Comparison of the conformational entropy of designed and natural nanobodies

    Jupyter Notebook 3

  3. OpenMM-Plumed-MPI OpenMM-Plumed-MPI Public

    C++ 3

  4. amyloid-beta_small_mol amyloid-beta_small_mol Public

    Mathematica 2 1

  5. ab42-g5-ensemble ab42-g5-ensemble Public

    Code for "A small molecule stabilises the disordered native state of the Alzheimer’s Aβ peptide"

    Jupyter Notebook 2 1

  6. AlphaFold-IDP AlphaFold-IDP Public

    This repository provides with custom code and analysis scripts to generate structural ensembles of intrinsically disordered proteins by using AlphaFold generated residue distance maps as constraint…

    Jupyter Notebook 2

Repositories

Showing 10 of 11 repositories
  • PEABS-LC-MS Public Forked from odedrim/PEABS-LC-MS

    tools for quantitative analysis of intact protein LC-MS for PEABS

    vendruscolo-lab/PEABS-LC-MS’s past year of commit activity
    Python 0 GPL-3.0 1 0 0 Updated Feb 19, 2024
  • AlphaFold-IDP Public

    This repository provides with custom code and analysis scripts to generate structural ensembles of intrinsically disordered proteins by using AlphaFold generated residue distance maps as constraints in any prior-structural ensemble

    vendruscolo-lab/AlphaFold-IDP’s past year of commit activity
    Jupyter Notebook 2 GPL-3.0 0 0 0 Updated Nov 2, 2023
  • vendruscolo-lab/OpenMM-Plumed-MPI’s past year of commit activity
    C++ 3 0 0 0 Updated Oct 8, 2023
  • ab42-kinetic-ensemble Public

    Code for "A kinetic ensemble of the Alzheimer's Aβ peptide"

    vendruscolo-lab/ab42-kinetic-ensemble’s past year of commit activity
    Jupyter Notebook 5 GPL-3.0 3 0 0 Updated Jul 14, 2022
  • sdab-entropy Public

    Comparison of the conformational entropy of designed and natural nanobodies

    vendruscolo-lab/sdab-entropy’s past year of commit activity
    Jupyter Notebook 3 0 0 0 Updated May 25, 2022
  • ab42-g5-ensemble Public

    Code for "A small molecule stabilises the disordered native state of the Alzheimer’s Aβ peptide"

    vendruscolo-lab/ab42-g5-ensemble’s past year of commit activity
    Jupyter Notebook 2 GPL-3.0 1 0 0 Updated May 24, 2022
  • IAPP Public
    vendruscolo-lab/IAPP’s past year of commit activity
    Shell 0 0 0 0 Updated May 4, 2022
  • vendruscolo-lab/tau-microtubules’s past year of commit activity
    Shell 0 0 0 0 Updated Mar 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 Microscopy"

    vendruscolo-lab/Spike-OpeningTransitionEnsemble’s past year of commit activity
    0 GPL-3.0 0 1 0 Updated Nov 25, 2020
  • vendruscolo-lab/amyloid-beta_small_mol’s past year of commit activity
    Mathematica 2 1 0 0 Updated Nov 1, 2020

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