Unveiling polyphenol-protein interactions: a comprehensive computational analysis

Abstract Our study investigates polyphenol-protein interactions, analyzing their structural diversity and dynamic behavior. Analysis of the entire Protein Data Bank reveals diverse polyphenolic structures, engaging in various noncovalent interactions with proteins. Interactions observed across cryst...

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Bibliographic Details
Main Authors: Samo Lešnik, Marko Jukić, Urban Bren
Format: Article
Language:English
Published: BMC 2025-04-01
Series:Journal of Cheminformatics
Subjects:
Online Access:https://doi.org/10.1186/s13321-025-00997-3
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