Computing Best Transition Pathways in High-Dimensional Dynamical Systems: Application to the AlphaL \leftrightharpoons Beta \leftrightharpoons AlphaR Transitions in Octaalanine

DOI10.1137/050641922zbMath1113.92029OpenAlexW2046337401MaRDI QIDQ3446796

Marcus Oswald, Frank Noé, Jeremy C. Smith, Stefan G. Fischer, Gerhard Reinelt

Publication date: 26 June 2007

Published in: Multiscale Modeling & Simulation (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1137/050641922

zbMATH Keywords

proteinpathwaypeptidepolyalaninetransition network

Mathematics Subject Classification ID

Applications of graph theory (05C90) Classical flows, reactions, etc. in chemistry (92E20) Dynamical systems in biology (37N25) Biochemistry, molecular biology (92C40) Computational methods for problems pertaining to biology (92-08)

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