title: Equilibrium properties and force-driven unfolding pathways of RNA molecules.
abstract: The mechanical unfolding of a simple RNA hairpin and of a 236-base portion of the Tetrahymena thermophila ribozyme is studied by means of an Ising-like model. Phase diagrams and free energy landscapes are computed exactly and suggest a simple two-state behavior for the hairpin and the presence of intermediate states for the ribozyme. Nonequilibrium simulations give the possible unfolding pathways for the ribozyme, and the dominant pathway corresponds to the experimentally observed one.
authors.affiliation: Department of Physics and Astronomy, University of Aarhus, Ny Munkegade, Building 1520, DK-8000 Aarhus C, Denmark. imparato@phys.au.dk
authors.forename: A
authors.initials: A
authors.lastname: Imparato
authors.forename: A
authors.initials: A
authors.lastname: Pelizzola
authors.forename: M
authors.initials: M
authors.lastname: Zamparo
mesh_terms: D056004:Molecular Dynamics Simulation; D009690:Nucleic Acid Conformation; D012313:RNA / Q000737:chemistry* / Q000378:metabolism*; D016337:RNA, Catalytic / Q000737:chemistry / Q000378:metabolism; D016808:Tetrahymena thermophila / Q000201:enzymology / Q000235:genetics; D013816:Thermodynamics
chemical_list: D016337:RNA, Catalytic; D012313:RNA