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1. amyloid-beta_small_mol amyloid-beta_small_mol Public

   This repository contains data and input files for the manuscript entitled "Small molecule sequestration of amyloid-β as a drug discovery strategy for Alzheimer's disease" by Heller et al. Science A…

   Mathematica 1

2. c-myc_small_mol c-myc_small_mol Public

   These are the minimum input files required to rerun the simulations from the manuscript entitled "Sequence Specificity in the Entropy-Driven Binding of a Small Molecule and a Disordered Peptide" by…

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3. amyloid-beta_kinetics amyloid-beta_kinetics Public

   Forked from vendruscolo-lab/ab42-kinetic-ensemble

   This repository contains data and input files for the manuscript entitled "A kinetic ensemble of the Alzheimer's Aβ peptide" by Löhr et al. Nature Computational Science, 2021.

   Jupyter Notebook

4. amyloid-beta_small_mol_kinetics amyloid-beta_small_mol_kinetics Public

   Forked from vendruscolo-lab/ab42-g5-ensemble

   This repository contains data and input files for the manuscript entitled "A small molecule stabilises the disordered native state of the Alzheimer’s Aβ peptide" by Löhr et al, ACS Chemical Neurosc…

   Jupyter Notebook

5. ns5a-d2d3_small_mol ns5a-d2d3_small_mol Public

   This repository contains data and input files for the manuscript entitled "Extreme dynamics of a small molecule in its bound state with an intrinsically disordered protein" by Heller et al.

   Jupyter Notebook 1

6. fluoride_contamination fluoride_contamination Public

   This repository contains data and input files for the manuscript 'Micromolar fluoride contamination arising from glass NMR tubes and a simple solution for biomolecular applications' by Matwani et al.

   Jupyter Notebook