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physics.chem-ph2015
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…
physics.comp-ph2015★ 2 cited
Kinetic distance and kinetic maps from molecular dynamics simulation
Frank Noe, Cecilia Clementi
Characterizing macromolecular kinetics from molecular dynamics (MD) simulations requires a distance metric that can distinguish slowly-interconverting states. Here we build upon di…