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

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Summary

dTRAM provides maximum-likelihood estimates of stationary quantities (probabilities, free energies, expectation values) at any thermodynamic state and provides optimal estimates of Markov state models (MSMs) from the discretized state-space trajectories at all thermodynamic states.

Type
article
Published
2014-11-11
Cited by
81
References
53
Access
Open access

Keywords

Trajectory, Limit (mathematics), Discretization, Generalization, Markov chain

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