https://doi.org/10.1140/epjd/e2008-00086-2
Computer simulation of proteins: thermodynamics and structure prediction
1
John-von-Neumann Institute for Computing, Forschungszentrum Jülich, 52425 Jülich, Germany
2
Department of Physics, Michigan Technological University, Houghton, MI, 49931, U.S.A.
Corresponding author: a hansmann@mtu.edu
Received:
24
January
2008
Revised:
10
March
2008
Published online:
7
May
2008
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 analysis / 87.15.Ak – Monte Carlo simulations / 87.15.-v – Biomolecules: structure and physical properties
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2008
