Resolving the apparent gap in complexity between simulated and measured kinetics of biomolecules

Please always quote using this URN: urn:nbn:de:0296-matheon-11029

Molecular simulations of biomolecules often reveal a complex picture of the their kinetics, whereas kinetic experiments typically seem to indicate considerably simpler two- or three-state kinetics. Markov state models (MSM) provide a tool to link between simulation and experi- ment, and to resolve this apparent contradiction.

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Metadaten
Author:Bettina Keller, Jan-Hendrik Prinz, Frank Noe
URN:urn:nbn:de:0296-matheon-11029
Referee:Christof Schütte
Language:English
Date of first Publication:18.05.2012
Institute:DFG Research Center Matheon
Freie Universität Berlin
Project:A19 Modeling and optimization of functional molecules
MSC-Classification:62M05 Markov processes: estimation
Preprint Number:Matheon Preprint #958