Protein Flexibility and Conformational Entropy in Ligand Design Targeting the Carbohydrate Recognition Domain of Galectin-3

[Image: see text] Rational drug design is predicated on knowledge of the three-dimensional structure of the protein−ligand complex and the thermodynamics of ligand binding. Despite the fundamental importance of both enthalpy and entropy in driving ligand binding, the role of conformational entropy i...

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Hauptverfasser: Diehl, Carl, Engström, Olof, Delaine, Tamara, Håkansson, Maria, Genheden, Samuel, Modig, Kristofer, Leffler, Hakon, Ryde, Ulf, Nilsson, Ulf J., Akke, Mikael
Format: Artigo
Sprache:Inglês
Veröffentlicht: American Chemical Society 2010
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC2954529/
https://ncbi.nlm.nih.gov/pubmed/20873837
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja105852y
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