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000001715 0247_ $$2DOI$$a10.1140/epjd/e2008-00086-2
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000001715 041__ $$aeng
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000001715 084__ $$2WoS$$aOptics
000001715 084__ $$2WoS$$aPhysics, Atomic, Molecular & Chemical
000001715 1001_ $$0P:(DE-Juel1)132189$$aMeinke, J. H.$$b0$$uFZJ
000001715 245__ $$aComputer Simulation of Proteins - Thermodynamics and Structure Predictions
000001715 260__ $$aBerlin$$bSpringer$$c2009
000001715 300__ $$a33 - 40
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000001715 440_0 $$01984$$aEuropean Physical Journal D$$v51$$x1434-6060$$y1
000001715 500__ $$aThis 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.
000001715 520__ $$aOver the last decade, computer simulations have become an increasingly important tool to study proteins. They now regularly complement experimental investigations and often are the only instrument to probe processes in the cell. Here, we summarize some of the algorithmic advances and review recent results that exemplify the progress over the last years. Our focus is on the thermodynamics and structure prediction of proteins, with information on the kinetics and dynamics inferred only indirectly.
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000001715 7001_ $$0P:(DE-Juel1)132590$$aMohanty, S.$$b1$$uFZJ
000001715 7001_ $$0P:(DE-Juel1)132207$$aNadler, W.$$b2$$uFZJ
000001715 7001_ $$0P:(DE-Juel1)132307$$aZimmermann, O.$$b3$$uFZJ
000001715 7001_ $$0P:(DE-Juel1)VDB46160$$aHansmann, U. H. E.$$b4$$uFZJ
000001715 773__ $$0PERI:(DE-600)1459071-2$$a10.1140/epjd/e2008-00086-2$$gVol. 51, p. 33 - 40$$p33 - 40$$q51<33 - 40$$tThe @European physical journal / D$$v51$$x1434-6060$$y2009
000001715 8567_ $$uhttp://dx.doi.org/10.1140/epjd/e2008-00086-2
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000001715 9141_ $$y2009
000001715 9131_ $$0G:(DE-Juel1)FUEK411$$aDE-HGF$$bSchlüsseltechnologien$$kP41$$lSupercomputing$$vScientific Computing$$x0
000001715 9201_ $$0I:(DE-Juel1)NIC-20090406$$gNIC$$kNIC$$lJohn von Neumann - Institut für Computing$$x0
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