Title : Interplay between Conformational Entropy and Solvation Entropy in Protein-Ligand Binding.

Pub. Date : 2019 Feb 6

PMID : 30618244






1 Functional Relationships(s)
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1 Here we pinpoint the molecular determinants underlying differences in ligand affinity to the carbohydrate recognition domain of galectin-3, using a combination of isothermal titration calorimetry, X-ray crystallography, NMR relaxation, and molecular dynamics simulations followed by conformational entropy and grid inhomogeneous solvation theory (GIST) analyses. Carbohydrates galectin 3 Homo sapiens