16 citations · 29 across the 2 of their papers we have counts for
2 papers
physics.comp-ph2024★ 13 cited
Learning protein-ligand unbinding pathways via single-parameter community detection
Victor Tänzel, Miriam Jäger, Steffen Wolf
Understanding the dynamics of biomolecular complexes, e.g., of protein-ligand (un)binding, requires the understanding of paths such systems take between metastable states. In MD si…
physics.bio-ph2021★ 16 cited
Predicting ion channel conductance via dissipation-corrected targeted molecular dynamics and Langevin equation simulations
Miriam Jäger, Thorsten Koslowski, Steffen Wolf
Ion channels are important proteins for physiological information transfer and functional control. To predict the microscopic origins of their voltage-conductance characteristics,…