Specific Ion Effects at Protein Surfaces: A Molecular Dynamics Study of Bovine Pancreatic Trypsin Inhibitor and Horseradish Peroxidase in Selected Salt Solutions

DOI to cite this document:: 10.5283/epub.19

Vrbka, Luboš ; Jungwirth, Pavel

; Bauduin, Pierre ; Touraud, Didier ; Kunz, Werner

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Date of publication of this fulltext: 05 Aug 2009 13:21

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Abstract

The distribution of sodium, choline, sulfate, and chloride ions around two proteins, horseradish peroxidase (HRP) and bovine pancreatic trypsin inhibitor (BPTI), is investigated by means of molecular dynamics simulations with the aim to elucidate ion adsorption at the protein surface. Although the two proteins under investigation are very different from each other, the ion distributions around ...