18 citations · 19 across the 2 of their papers we have counts for
2 papers
cond-mat.soft2022★ 18 cited
Small ionic radii limit time step in Martini 3 molecular dynamics simulations
Balázs Fábián, Sebastian Thallmair, Gerhard Hummer
Among other improvements, the Martini 3 coarse-grained force field provides a more accurate description of the solvation of protein pockets and channels through the consistent use…
physics.chem-ph2017★ 1 cited
Revisiting an approximation in the Wilson G-matrix formalism and its impact on molecular quantum dynamics
Julius P. P. Zauleck, Sebastian Thallmair, Regina de Vivie-Riedle
Quantum dynamics simulations of reactive molecular processes are commonly performed in a low-dimensional space spanned by highly optimized reactive coordinates. Usually, these sets…