8:00 PDT - 11:00 EDT - 15:00 UTC
17:00 CEST - 18:00 IST - 23:00 CST
Roland R. Netz
Department of Physics, Free University Berlin, Germany
Non-Markovian modeling of protein folding
Protein-folding kinetics is often described as Markovian (i.e., memoryless) diffusion in a one-dimensional free energy landscape, governed by an instantaneous friction coefficient that is fitted to reproduce experimental or simulated folding times. For a few different examples, I demonstrate that the friction extracted from molecular dynamics simulations exhibits significant memory with a decay time that is of the same order as the folding and unfolding times. Non-Markovian modeling not only reproduces the molecular dynamics simulations accurately but also demonstrates that memory friction effects lead to anomalous and drastically modified protein kinetics.