Probing universal protein dynamics using residue-level Gibbs free energy

biorxiv(2021)

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摘要
Hydrogen Deuterium Exchange Mass Spectrometry is a powerful monitor of protein intrinsic dynamics, yet the interpretation, visualization and cross-comparison of HDX-MS datasets is challenging. Here we present PyHDX, an open-source python package and web server, that batch-extracts the universal quantity Gibbs free energy at residue level over multiple protein conditions and homologues. Δ G values relate to protein normal modes and together provide a universal measure of protein flexibility. Availability PyHDX source code is released under the MIT license and can be accessed on [GitHub][1]. ### Competing Interest Statement The authors have declared no competing interest. [1]: https://github.com/Jhsmit/PyHDX
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关键词
universal protein dynamics,gibbs,free energy,residue-level
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