Constructing the equilibrium ensemble of folding pathways from short off-equilibrium simulations

DOI10.1073/pnas.0905466106zbMath1254.92001OpenAlexW1979070806WikidataQ37410885 ScholiaQ37410885MaRDI QIDQ4899124

Frank Noé, Eric Vanden-Eijnden, Christof Schütte, Thomas R Weikl, Lothar Reich

Publication date: 7 January 2013

Published in: Proceedings of the National Academy of Sciences (Search for Journal in Brave)

Full work available at URL: https://europepmc.org/articles/pmc2772816

Mathematics Subject Classification ID

Statistical mechanics of polymers (82D60) Genetics and epigenetics (92D10) Computational methods for problems pertaining to biology (92-08)

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Cites Work

• A direct approach to conformational dynamics based on hybrid Monte Carlo
• Towards a theory of transition paths
• Transition Path Theory for Markov Jump Processes
• Long‐Time Protein Folding Dynamics from Short‐Time Molecular Dynamics Simulations

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