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

Vrbka, Luboš, Jungwirth, Pavel, Bauduin, Pierre, Touraud, Didier and Kunz, Werner (2006) Specific Ion Effects at Protein Surfaces: A Molecular Dynamics Study of Bovine Pancreatic Trypsin Inhibitor and Horseradish Peroxidase in Selected Salt Solutions. The journal of physical chemistry B 110 (13), pp. 7036-7043.

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Other URL: http://pubs.acs.org/cgi-bin/abstract.cgi/jpcbfk/2006/110/i13/abs/jp0567624.html


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 ...

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Item type:Article
Date:6 April 2006
Institutions:Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie
Identification Number:
ValueType
10.1021/jp0567624DOI
Dewey Decimal Classification:500 Science > 530 Physics
500 Science > 540 Chemistry & allied sciences
Status:Published
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Unknown
Item ID:19
Owner only: item control page

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