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Chapter 15

Challenges and Progresses in Calculations of Binding Free Energies – What Does it Take to Quantify Electrostatic Contributions to Protein–Ligand Interactions?

The specificity of the interaction between proteins and their ligands plays a major role in most biological processes. Thus, the ability to correlate the structure of protein–ligand complexes with their binding affinity is a challenge of major practical and fundamental importance. A clear example is...

Publication details


Print publication date
26 Oct 2007
Copyright year
2007
Print ISBN
978-0-85404-365-1
PDF eISBN
978-1-84755-796-4
From the book series:
RSC Biomolecular Sciences