Atomistic Simulation of Single Molecule Experiments: Molecular Machines and a Dynasome Perspective

  • Helmut Grubmüller (Max Planck Institute for Biophysical Chemistry, Göttingen)
Hörsaal für Theoretische Physik Universität Leipzig (Leipzig)


Proteins are biological nanomachines which operate at many length and time scales. We combined single molecule, x-ray crystallographic, and cryo-EM data with atomistic simulations to elucidate how these functions are performed at the molecular level. Examples include the mechanics of energy conversion in F-ATP synthase and tRNA translocation within the ribosome. We will further demonstrate how atomistic simulations enable one to mimic, one-to-one, single molecule FRET distance measurements, and thereby to markedly enhance their resolution and accuracy. We will, finally, take a more global view on the 'universe' of protein dynamics motion patterns and demonstrate that a systematic coverage of this 'dynasome' allows one to predict protein function.

11/19/13 10/13/20

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Katharina Matschke

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