• search hit 184 of 1103
Back to Result List

Markov models and dynamical fingerprints: unraveling the complexity of molecular kinetics

Please always quote using this URN:urn:nbn:de:0296-matheon-10986
  • Dynamical fingerprints of macromolecules obtained from experiments often seem to indicate two- or three state kinetics while simulations typically reveal a more complex picture. Markov state models of molecular conformational dynamics can be used to predict these dynamical fingerprints and to reconcile experiment with simulation. This is illustrated on two model systems: a one-dimensional energy surface and a four-state model of a protein folding equilibrium. We show that (i) there might be no process which corresponds to our notion of folding, (ii) often the experiment will be insensitive to some of the processes present in the system, (iii) with a suitable combination the observable and initial conditions in a relaxation experiment one can selectively measure specific processes. Furthermore, our method can be used to design experiments such that specific processes appear with large amplitudes. We demonstrate that for a fluorescence quenching experiment of the MR121-G9-W peptide.

Download full text files

Export metadata

Additional Services

Share in Twitter Search Google Scholar
Metadaten
Author:Bettina Keller, Jan-Hendrik Prinz, Frank Noe
URN:urn:nbn:de:0296-matheon-10986
Referee:Christof Schütte
Document Type:Preprint, Research Center Matheon
Language:English
Date of first Publication:2012/02/27
Release Date:2012/02/27
Tag:FCS; FRET; Markov models; T-jump; dynamical fingerprints; molecular dynamics; protein folding; single-molecule spectroscopy
Institute:Research Center Matheon
Freie Universität Berlin
MSC-Classification:62-XX STATISTICS / 62Mxx Inference from stochastic processes / 62M05 Markov processes: estimation
Preprint Number:940
Verstanden ✔
Diese Webseite verwendet technisch erforderliche Session-Cookies. Durch die weitere Nutzung der Webseite stimmen Sie diesem zu. Unsere Datenschutzerklärung finden Sie hier.