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cond-mat.soft2026
Markov State Model for the forced unfolding of a small peptide
Marco Oestereich, Jürgen Gauss, Gregor Diezemann
In typical single-molecule force spectroscopy experiments the mechanical unfolding of molecular complexes or biomolecules is studied applying a force ramp to one end of the system…
cond-mat.soft2024
Adaptive Resolution Force Probe Simulations: Coarse Graining in the Ideal Gas Approximation
Marco Oestereich, Jürgen Gauss, Gregor Diezemann
The unfolding of molecular complexes or biomolecules under the influence of external mechanical forces can routinely be simulated with atomistic resolution. To obtain a match of th…