Published in
Royal Society of Chemistry, Organic and Biomolecular Chemistry, 5(17), p. 1081-1089, 2019
DOI: 10.1039/c8ob02888e
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Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects
Journal article published in 2019 by
Rohit Kumar,
Kristoffer Peterson,
Majda Misini Ignjatović,
Hakon Leffler 
,
Ulf Ryde ,
Ulf J. Nilsson ,
Derek T. Logan
,
Ulf Ryde ,
Ulf J. Nilsson ,
Derek T. Logan
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Abstract
Analysis of a ligand induced-aglycone-binding pocket in galectin-3 provides detailed insight into interactions of fluorinated phenyl moieties with arginine-containing protein binding sites and the complex interplay of different energetic components in defining the binding affinity.