50 citations · 73 across the 3 of their papers we have counts for
3 papers
cond-mat.stat-mech2026★ 1 cited
Data-Efficient Multidimensional Free Energy Estimation via Physics-Informed Score Learning
Daniel Nagel, Tristan Bereau
Many biological processes involve numerous coupled degrees of freedom, yet free-energy estimation is often restricted to one-dimensional profiles to mitigate the high computational…
q-bio.BM2023★ 22 cited
Selecting Features for Markov Modeling: A Case Study on HP35
Daniel Nagel, Sofia Sartore, Gerhard Stock
Markov state models represent a popular means to interpret molecular dynamics trajectories in terms of memoryless transitions between metastable conformational states. To provide a…
q-bio.BM2022★ 50 cited
Correlation-based feature selection to identify functional dynamics in proteins
Georg Diez, Daniel Nagel, Gerhard Stock
To interpret molecular dynamics simulations of biomolecular systems, systematic dimensionality reduction methods are commonly employed. Among others, this includes principal compon…