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Photo Mikael Lund

Mikael Lund

Professor

Photo Mikael Lund

Enhanced Protein Steering: Cooperative Electrostatic and van der Waals Forces in Antigen-Antibody Complexes.

Author

  • Björn Persson
  • Bo Jönsson
  • Mikael Lund

Summary, in English

We study the association of the cationic protein lysozyme with several almost neutral protein fragments but with highly uneven charge distributions. Using mesoscopic protein models, we show how electrostatic interactions can align or steer protein complexes into specific constellations dictated by the specific charge distributions of the interacting biomolecules. Including van der Waals forces significantly amplifies the electrostatically induced orientational steering at physiological solution conditions, demonstrating that different intermolecular interactions can work in a cooperative way in order to optimize specific biochemical mechanisms. Individually, the electrostatic and van der Waals interactions lead only to a relatively weak intermolecular alignment, but when combined, the effect increases significantly.

Department/s

  • Computational Chemistry

Publishing year

2009

Language

English

Pages

10459-10464

Publication/Series

The Journal of Physical Chemistry Part B

Volume

113

Issue

30

Document type

Journal article

Publisher

The American Chemical Society (ACS)

Topic

  • Theoretical Chemistry (including Computational Chemistry)

Status

Published

ISBN/ISSN/Other

  • ISSN: 1520-5207