8 citations · 15 across the 8 of their papers we have counts for
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q-bio.BM2023★ 6 cited
Navigating protein landscapes with a machine-learned transferable coarse-grained model
Nicholas E. Charron, Felix Musil, Andrea Guljas +18
The most popular and universally predictive protein simulation models employ all-atom molecular dynamics (MD), but they come at extreme computational cost. The development of a uni…
physics.chem-ph2023★ 8 cited
Implicit Transfer Operator Learning: Multiple Time-Resolution Surrogates for Molecular Dynamics
Mathias Schreiner, Ole Winther, Simon Olsson
Computing properties of molecular systems rely on estimating expectations of the (unnormalized) Boltzmann distribution. Molecular dynamics (MD) is a broadly adopted technique to ap…