Berlin 2024 – wissenschaftliches Programm

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BP: Fachverband Biologische Physik

BP 21: Poster IIIb

BP 21.29: Poster

Mittwoch, 20. März 2024, 11:00–14:30, Poster C

Non-Markovian friction dependence on intra-molecular reaction coordinates in protein folding — •Jonathan Remmert, Benjamin A. Dalton, and Roland R. Netz — Freie Universität Berlin, Berlin

Protein folding is commonly described using one-dimensional reaction coordinates. The dynamics of these coordinates depend on the free energy profile and on the effective friction. Experimental techniques to measure protein folding, such as FRET experiments, use distances between residues in the amino acid chain as reaction coordinates, which are known to exhibit strongly non-Markovian dynamics.

By applying novel methods to extract non-Markovian friction kernels from simulation data, we describe the dynamics of intra-molecular distance reaction coordinates by the Generalised Langevin Equation. We explore the dependence of the non-Markovian friction on the specific distance coordinate chosen, thereby enabling a detailed theoretical description and understanding of FRET experiments.

Keywords: non-Markovian friction; FRET experiments; Generalized Langevin Equation; intra-molecular distance coordinate; protein folding