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Chapter 11

Top-down Mesoscale Models and Free Energy Calculations of Multivalent Protein-Protein and Protein-Membrane Interactions in Nanocarrier Adhesion and Receptor Trafficking

In this chapter we present a summary of recent applications of top-down mesoscale modeling to two biologically relevant problems: (1) adhesion of nanocarriers to cells mediated by multivalent receptor-ligand interactions in targeted drug delivery; (2) internalization of cell surface receptors in cells via the biological process of endocytosis. In particular, we focus on methods for computing absolute/relative free energies using these mesoscale models in order to facilitate direct comparison with experimental data.

Print publication date: 01 May 2012
Copyright year: 2012
Print ISBN: 978-1-84973-461-5
PDF eISBN: 978-1-84973-504-9
From the book series:
RSC Biomolecular Sciences