Markov state models from short non-equilibrium simulations - Analysis and correction of estimation bias

Journal of Chemical Physics

Volumn 146, Issue 9, 2017, Pages

  Nüske, Feliks ^a   Wu, Hao ^a   Prinz, Jan Hendrik ^a   Wehmeyer, Christoph ^a   Clementi, Cecilia ^b   Noé, Frank ^a  

^a FREIE UNIVERSITÄT BERLIN   (Germany)

^b RICE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; EIGENVALUES AND EIGENFUNCTIONS; ESTIMATION; MOLECULAR DYNAMICS;

BIOMOLECULAR SYSTEM; KINETIC CHARACTERIZATION; MOLECULAR DYNAMICS SIMULATIONS; NON-EQUILIBRIUM SIMULATIONS; OBSERVABLE OPERATOR MODELS; RELAXATION TIME SCALE; STATE-OF-THE-ART METHODS; TRANSITION PROBABILITIES;

MATRIX ALGEBRA;

EID: 85014469703     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4976518     Document Type: Article

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