This repository contains data and input files for the manuscript entitled "An integrative characterisation of proline cis and trans conformers in a disordered peptide' by Pettitt et al. DOI: 10.1016/j.bpj.2024.09.028
molecular-dynamics-simulation biophysics saxs nmr-spectroscopy isomerization disordered-proteins metadynamics-simulations proline
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Updated
Nov 11, 2024 - Jupyter Notebook