Classical force-field for peptides containing 4-fluorinated proline residues (or any canonical peptide). Includes a proline ring pucker correction
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Updated
Dec 6, 2020 - Shell
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proline
Here are 3 public repositories matching this topic...
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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Nov 11, 2024 - Jupyter Notebook
Scripts from my PhD for a thesis published by University College London
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Updated
Dec 18, 2024 - Jupyter Notebook
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