198 citations · 198 across the 2 of their papers we have counts for
3 papers
physics.chem-ph2026
Looking Under the Streetlight: Evaluation in Generative Molecular Dynamics
Simon Olsson, Frank Noé, Grant M. Rotskoff +1
This position paper argues that the generative molecular dynamics (GenMD) community is not properly evaluating its progress: current evaluations let a model match what is reported…
physics.bio-ph2021
Markov State Models of protein-protein encounters
Simon Olsson
This chapter reviews how molecular dynamics simulations, experimental data, and Markov state models can synergize to map-out the mechanism of protein-protein association and dissoc…
physics.comp-ph2020★ 198 cited
Coarse Graining Molecular Dynamics with Graph Neural Networks
Brooke E. Husic, Nicholas E. Charron, Dominik Lemm +9
Coarse graining enables the investigation of molecular dynamics for larger systems and at longer timescales than is possible at atomic resolution. However, a coarse graining model…