The European Physical Journal D

, Volume 51, Issue 1, pp 33–40

Computer simulation of proteins: thermodynamics and structure prediction

  • J. H. Meinke
  • S. Mohanty
  • W. Nadler
  • O. Zimmermann
  • U. H.E. Hansmann
Dynamics of Bio Macromolecules

DOI: 10.1140/epjd/e2008-00086-2

Cite this article as:
Meinke, J., Mohanty, S., Nadler, W. et al. Eur. Phys. J. D (2009) 51: 33. doi:10.1140/epjd/e2008-00086-2

Abstract

Over the last decade, computer simulations have become an increasingly important tool to study proteins. They now regularly complement experimental investigations and often are the only instrument to probe processes in the cell. Here, we summarize some of the algorithmic advances and review recent results that exemplify the progress over the last years. Our focus is on the thermodynamics and structure prediction of proteins, with information on the kinetics and dynamics inferred only indirectly.

PACS

87.15.Cc Folding and sequence analysis87.15.Ak Monte Carlo simulations87.15.-v Biomolecules: structure and physical properties

Copyright information

© EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg 2008

Authors and Affiliations

  • J. H. Meinke
    • 1
  • S. Mohanty
    • 1
  • W. Nadler
    • 1
  • O. Zimmermann
    • 1
  • U. H.E. Hansmann
    • 2
  1. 1.John-von-Neumann Institute for ComputingJülichGermany
  2. 2.Department of PhysicsMichigan Technological UniversityHoughtonU.S.A.