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Identification of kinetic order parameters for non-equilibrium dynamics
Fabian Paul, Hao Wu, Maximilian Vossel +2
A popular approach to analyze the dynamics of high-dimensional many-body systems, such as macromolecules, is to project the trajectories onto a space of slowly-varying collective v…
Estimation and uncertainty of reversible Markov models
Benjamin Trendelkamp-Schroer, Hao Wu, Fabian Paul +1
Reversibility is a key concept in Markov models and Master-equation models of molecular kinetics. The analysis and interpretation of the transition matrix encoding the kinetic prop…
Identification of slow molecular order parameters for Markov model construction
Guillermo Perez-Hernandez, Fabian Paul, Toni Giorgino +2
A goal in the kinetic characterization of a macromolecular system is the description of its slow relaxation processes, involving (i) identification of the structural changes involv…