Entropy–Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C

• Johan Wallerstein,
• Vilhelm Ekberg,
• Majda Misini Ignjatović,
• Rohit Kumar,
• Octav Caldararu,
• Kristoffer Peterson,
• Sven Wernersson,
• Ulrika Brath,
• Hakon Leffler,
• Esko Oksanen,
• Derek T. Logan,
• Ulf J. Nilsson,
• Ulf Ryde,
• Mikael Akke

Affiliations

Johan Wallerstein

Biophysical Chemistry, Center for Molecular Protein Science, Department of Chemistry, Lund University, Lund, Sweden

Vilhelm Ekberg

Theoretical Chemistry, Department of Chemistry, Lund University, Lund, Sweden

Majda Misini Ignjatović

Theoretical Chemistry, Department of Chemistry, Lund University, Lund, Sweden

Rohit Kumar

Biochemistry and Structural Biology, Center for Molecular Protein Science, Department of Chemistry, Lund University, Lund, Sweden

Octav Caldararu

Theoretical Chemistry, Department of Chemistry, Lund University, Lund, Sweden

Kristoffer Peterson

Centre for Analysis and Synthesis, Department of Chemistry, Lund University, Lund, Sweden

Sven Wernersson

Biophysical Chemistry, Center for Molecular Protein Science, Department of Chemistry, Lund University, Lund, Sweden

Ulrika Brath

The Swedish NMR Center, University of Gothenburg, Gothenburg, Sweden

Hakon Leffler

Microbiology, Immunology, and Glycobiology, Department of Experimental Medicine, Lund University, Lund, Sweden

Esko Oksanen

European Spallation Source ESS ERIC, Lund, Sweden

Derek T. Logan

Biochemistry and Structural Biology, Center for Molecular Protein Science, Department of Chemistry, Lund University, Lund, Sweden

Ulf J. Nilsson

Centre for Analysis and Synthesis, Department of Chemistry, Lund University, Lund, Sweden

Ulf Ryde

Theoretical Chemistry, Department of Chemistry, Lund University, Lund, Sweden

Mikael Akke

Biophysical Chemistry, Center for Molecular Protein Science, Department of Chemistry, Lund University, Lund, Sweden