4 citations · 8 across the 3 of their papers we have counts for
Showing 2024Show all
2 papers · 1 filter
cond-mat.stat-mech2024★ 2 cited
Fast Sampling of Protein Conformational Dynamics
Michael A. Sauer, Souvik Mondal, Brandon Neff +2
Protein function does not solely depend on structure but often relies on dynamical transitions between distinct conformations. Despite this fact, our ability to characterize or pre…
cond-mat.stat-mech2024★ 4 cited
Exploring Conformational Landscapes Along Anharmonic Low-Frequency Vibrations
Souvik Mondal, Michael A. Sauer, Matthias Heyden
We aim to automatize the identification of collective variables to simplify and speed up enhanced sampling simulations of conformational dynamics in biomolecules. We focus on anhar…