Journal Article

PreJuSER-1715

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Computer Simulation of Proteins - Thermodynamics and Structure Predictions

Meinke, J. H.FZJ* ; Mohanty, S.FZJ* ; Nadler, W.FZJ* ; Zimmermann, O.FZJ* ; Hansmann, U. H. E.FZJ*

2009
Springer Berlin

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Please use a persistent id in citations: 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.

Keyword(s): J

Note: This work was supported in part by the National Institutes of Health (USA) Grant GM62838 and National Science Foundation (USA) Grant CHE-0313618. Most calculations were done on computers of the John von Neumann Institute for Computing, Research Centre Julich, Germany.

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Contributing Institute(s):

1. John von Neumann - Institut für Computing (NIC)

Research Program(s):

1. Scientific Computing (P41)

Appears in the scientific report 2009

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