Constructing the equilibrium ensemble of folding pathways from short off-equilibrium simulations
DOI10.1073/PNAS.0905466106zbMATH Open1254.92001OpenAlexW1979070806WikidataQ37410885 ScholiaQ37410885MaRDI QIDQ4899124FDOQ4899124
Authors: Frank Noé, Christof Schütte, Eric Vanden-Eijnden, Lothar Reich, Thomas R Weikl 
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
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- STUDY OF FOLDING BEHAVIORS OF A SIX-HELIX PROTEIN BY ab initio MOLECULAR DYNAMICS FOLDING SIMULATIONS OF UNRES
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- A path planning-based study of protein folding with a case study of hairpin formation in protein G and L
- A Multiscale Perturbation Expansion Approach for Markov State Modeling of Nonstationary Molecular Dynamics
- Finding dominant structures of nonreversible Markov processes
- Transport of phase space densities through tetrahedral meshes using discrete flow mapping
- The ensemble folding dynamics of EF-hand domain in parvalbumin from a Monte Carlo simulation
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