Localized and interactive weighted persistent homology models show TMAO forming increasing numbers of small circle elements with concentration while urea forms local clusters at ~6 Å and sparse global circles at ~12 Å, with local-scale PRDFs providing interaction detail beyond traditional RDF.
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Weighted persistent homology for osmolyte molecular aggregation and hydrogen-bonding network analysis
Localized and interactive weighted persistent homology models show TMAO forming increasing numbers of small circle elements with concentration while urea forms local clusters at ~6 Å and sparse global circles at ~12 Å, with local-scale PRDFs providing interaction detail beyond traditional RDF.