ArticleJournal of magnetic resonance (San Diego, Calif. : 1997)2021
Theoretical classification of exchange geometries from the perspective of NMR relaxation dispersion.
Article in Journal of magnetic resonance (San Diego, Calif. : 1997), 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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Who cites it
3 citing papers in PubMed.
- Studying micro to millisecond protein dynamics using simple amideJournal of biomolecular NMR · 2023Article
- Insights into the Cross Talk between Effector and Allosteric Lobes of KRAS from Methyl Conformational Dynamics.Journal of the American Chemical Society · 2022Article
- The A39G FF domain folds on a volcano-shaped free energy surface via separate pathways.Proceedings of the National Academy of Sciences of the United States of America · 2021Article
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3 authors.
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Abstract
NMR relaxation dispersion experiments have been widely applied to probe important conformational exchange of macro-molecules in many biological systems. The current improvements in computational techniques as well as the theoretical breakthroughs make the quantitative data analysis of complex exchange models possible. However, the topology of a given exchange model is also one of the main factors affecting the solution of Bloch-McConnell equation. The lack of a theoretical analysis of the exchange topologies at n-site exchange hinders further progress of such data analysis. Here, using graph theory, we reveal the topological complexity of n-site exchange and present all exchange models when n is less than 6. Furthermore, we introduce an alternative way, using machine learning, to select an exchange model based on a set of relaxation dispersion data without fitting them with every individual exchange model.
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