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most citedIdentification of slow molecular order parameters for Markov model construction

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physics.data-an2014★ 79 cited

Statistically optimal analysis of state-discretized trajectory data from multiple thermodynamic states

Hao Wu, Antonia S. J. S. Mey, Edina Rosta +1

We propose a discrete transition-based reweighting analysis method (dTRAM) for analyzing configuration-space-discretized simulation trajectories produced at different thermodynamic…