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q-bio.BM2026
LiveCoMS Roundtable: Discussing Markov state models after two decades of development v1.0
Daniel M. Zuckerman, Gregory R. Bowman, Amedeo Caflisch +14
Markov state models (MSMs) play a central role in the analysis of molecular dynamics (MD) simulations for biomolecules, and MSM methodologies have been under continual development…
physics.bio-ph2026
Deep Generative Markov State Models with Experimental Restraints
Robert M. Raddi, Vincent A. Voelz
A central challenge in molecular modeling is reconciling simulations with experimental observables, as force-field inaccuracies can distort equilibrium populations and long-timesca…