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Learning molecular models of RNA requires simulation data that capture conformational variability and provide consistent physical training signals. Here, we introduce mdRNAcat, a curated dataset of all-atom molecular dynamics (MD) simulations of 48 RNA systems selected to promote sequence diversity. Each system is simulated using replica-exchange with solute scaling (REST2), with 32 Hamiltonian states and production lengths of 200-300 ns per state.
As a journalist, you can create a free Muck Rack account to customize your profile, list your contact preferences, and upload a portfolio of your best work.