Free energy computation of particles with membrane-mediated interactions via Langevin dynamics

  title={Free energy computation of particles with membrane-mediated interactions via Langevin dynamics},
  author={Tobias Kies and Carsten Gr{\"a}ser and Luigi Delle Site and Ralf Kornhuber},
We apply well-established concepts of Langevin sampling to derive a new class of algorithms for the efficient computation of free energy differences of fluctuating particles embedded in a 'fast' membrane, i.e., a membrane that instantaneously adapts to varying particle positions. A geometric potential accounting for membrane-mediated particle interaction is derived in the framework of variational hybrid models for particles in membranes. Recent explicit representations of the gradient of the… 

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