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Overview of QAARM: We use MD simulations as input to QAA. The output of QAA is a reduced dimensional space, in which conformers clustered together represent micro-states. This reduced-dimensional space is then input into a Markov diffusion framework to identify clusters of conformations that are kinetically accessible. These clusters represent metastable macro-states. We then build second order AR models for each substate to identify pathways between metastable states.
