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000578456 1001_ $$0P:(DE-H253)PIP1032871$$aGinn, Helen$$b0$$eCorresponding author$$udesy
000578456 245__ $$aTorsion angles to map and visualize the conformational space of a protein
000578456 260__ $$aBethesda, Md.$$bProtein Society$$c2023
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000578456 520__ $$aPresent understanding of protein structure dynamics trails behind that of static structures. A torsion angle based approach, called representation of protein entities (RoPE), derives an interpretable conformational space which correlates with data collection temperature, resolution and reaction coordinate. For more complex systems, atomic coordinates fail to separate functional conformational states, which are still preserved by torsion angle-derived space. This indicates that torsion angles are often a more sensitive and biologically relevant descriptor for protein conformational dynamics than atomic coordinates.
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