14. Study of Proteins and Peptides at Interfaces by Molecular Dynamics Simulation Techniques

  1. Juan M. Ruso and
  2. Ángel Piñeiro
  1. David Poger1 and
  2. Alan E. Mark2

Published Online: 5 MAR 2013

DOI: 10.1002/9781118523063.ch14

Proteins in Solution and at Interfaces: Methods and Applications in Biotechnology and Materials Science

Proteins in Solution and at Interfaces: Methods and Applications in Biotechnology and Materials Science

How to Cite

Poger, D. and Mark, A. E. (2013) Study of Proteins and Peptides at Interfaces by Molecular Dynamics Simulation Techniques, in Proteins in Solution and at Interfaces: Methods and Applications in Biotechnology and Materials Science (eds J. M. Ruso and Á. Piñeiro), John Wiley & Sons, Inc., Hoboken, NJ, USA. doi: 10.1002/9781118523063.ch14

Author Information

  1. 1

    School of Chemistry and Molecular Biosciences, The University of Queensland, Brisbane, Australia.

  2. 2

    The School of Chemistry and Molecular Biosciences, The University of Queensland, Brisbane, Australia.

Publication History

  1. Published Online: 5 MAR 2013
  2. Published Print: 18 FEB 2013

ISBN Information

Print ISBN: 9780470952511

Online ISBN: 9781118523063

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Keywords:

  • air-water interfaces;
  • biological membranes;
  • inorganic interfaces;
  • interfaces;
  • molecular dynamics (MD) simulation;
  • oil-water interfaces;
  • organic interfaces;
  • peptides;
  • proteins

Summary

This chapter discusses the study of the interaction of peptides and proteins at interfaces using molecular dynamics (MD) simulation techniques. First, the chapter discusses how computational methods, in particular MD simulation techniques, complement experimental methods. Then it focuses on three main areas of research: the interaction of peptides and proteins with (i) biological membranes and lipid bilayers, (ii) air-water and oil-water interfaces, and (iii) organic and inorganic sorbents.