Weighted Ensemble Molecular Dynamics Dataset of β2-Adrenergic Receptor Activation Pathways

This dataset contains weighted ensemble molecular dynamics (WEMD) simulation trajectories and topology files used to study intrinsic activation pathways of the β2-adrenergic receptor (β2AR). The dataset includes trajectories capturing inactive-to-active transitions in both minimalist (receptor-only) and membrane environments, along with template files required to reproduce simulations. These data support the findings of:“A Minimalist Model for Navigating Conformational Landscape Uncovers the Activation Mechanism of β2-Adrenergic Receptor.”