Probing Universal Protein Dynamics Using Hydrogen–Deuterium Exchange Mass Spectrometry-Derived Residue-Level Gibbs Free Energy

نویسندگان

چکیده

Hydrogen–deuterium exchange mass spectrometry (HDX-MS) is a powerful technique to monitor protein intrinsic dynamics. The provides high-resolution information on how dynamics are altered in response biological signals, such as ligand binding, oligomerization, or allosteric networks. However, identification, interpretation, and visualization of events from HDX-MS data sets challenging these consist many individual points collected across peptides, time points, experimental conditions. Here, we present PyHDX, an open-source Python package webserver, that allows the user batch extract universal quantity Gibbs free energy at residue levels over multiple conditions homologues. output directly visualized linear map 3D structures exported .csv files PyMOL scripts.

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ژورنال

عنوان ژورنال: Analytical Chemistry

سال: 2021

ISSN: ['1520-6882', '0003-2700']

DOI: https://doi.org/10.1021/acs.analchem.1c02155