76 citations · 157 across the 7 of their papers we have counts for
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cond-mat.soft2025★ 1 cited
AI-guided transition path sampling of lipid flip-flop and membrane nanoporation
Matthias Post, Gerhard Hummer
We study lipid translocation ("flip-flop") between the leaflets of a planar lipid bilayer with transition path sampling (TPS). Rare flip-flops compete with biological machineries t…
cond-mat.soft2022★ 14 cited
Path separation of dissipation-corrected targeted molecular dynamics simulations of protein-ligand unbinding
Steffen Wolf, Matthias Post, Gerhard Stock
Protein-ligand (un)binding simulations are a recent focus of biased molecular dynamics simulations. Such binding and unbinding can occur via different pathways in and out of a bind…
cond-mat.soft2022★ 8 cited
Molecular origin of driving-dependent friction in fluids
Matthias Post, Steffen Wolf, Gerhard Stock
The friction coefficient of fluids may become a function of the velocity at increased external driving. This non-Newtonian behavior is of general theoretical interest as well as of…