TY  - JOUR
AU  - Meinke, J. H.
AU  - Mohanty, S.
AU  - Nadler, W.
AU  - Zimmermann, O.
AU  - Hansmann, U. H. E.
TI  - Computer Simulation of Proteins - Thermodynamics and Structure Predictions
JO  - The European physical journal / D
VL  - 51
SN  - 1434-6060
CY  - Berlin
PB  - Springer
M1  - PreJuSER-1715
SP  - 33 - 40
PY  - 2009
N1  - 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.
AB  - 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.
KW  - J (WoSType)
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000262653500005
DO  - DOI:10.1140/epjd/e2008-00086-2
UR  - https://juser.fz-juelich.de/record/1715
ER  -