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Photo Mikael Lund

Mikael Lund

Professor

Photo Mikael Lund

Specific ion binding to nonpolar surface patches of proteins

Author

  • Mikael Lund
  • Lubos Vrbka
  • Pavel Jungwirth

Summary, in English

Employing detailed atomistic modeling we study the mechanisms behind ion binding to proteins and other biomolecules and conclude that (1) small, hard ions bind via direct ion pairing to charged surface groups and (2) large, soft ions bind to nonpolar groups via a solvent assisted attraction. Our predictions are in qualitative agreement with bulk solution data and may provide an important clue for the basic understanding of ion-specific effects in biological systems.

Department/s

  • Computational Chemistry

Publishing year

2008

Language

English

Pages

11582-3

Publication/Series

Journal of the American Chemical Society

Volume

130

Document type

Specialist publication article

Publisher

The American Chemical Society (ACS)

Topic

  • Chemical Sciences

Keywords

  • Ions
  • Ions: chemistry
  • Models
  • Molecular
  • Muramidase
  • Muramidase: chemistry
  • Potassium Chloride
  • Muramidase: metabolism
  • Potassium Iodide
  • Potassium Chloride: chemistry
  • Potassium Iodide: chemistry
  • Protein Binding
  • Surface Properties
  • Water: chemistry
  • Water

Status

Published

ISBN/ISSN/Other

  • ISSN: 1520-5126