title: Force-induced denaturation of RNA.
abstract: We quantitatively describe an RNA molecule under the influence of an external force exerted at its two ends as in a typical single-molecule experiment. Our calculation incorporates the interactions between nucleotides by using the experimentally determined free energy rules for RNA secondary structure and models the polymeric properties of the exterior single-stranded regions explicitly as elastic freely jointed chains. We find that despite complicated secondary structures, force-extension curves are typically smooth in quasi-equilibrium. We identify and characterize two sequence/structure-dependent mechanisms that, in addition to the sequence-independent entropic elasticity of the exterior single-stranded regions, are responsible for the smoothness. These involve compensation between different structural elements on which the external force acts simultaneously and contribution of suboptimal structures, respectively. We estimate how many features a force-extension curve recorded in nonequilibrium, where the pulling proceeds faster than rearrangements in the secondary structure of the molecule, could show in principle. Our software is available to the public through an "RNA-pulling server."
authors.affiliation: Department of Physics, University of California at San Diego, La Jolla, California 92093-0319 USA. gerland@matisse.ucsd.edu
authors.forename: U
authors.initials: U
authors.lastname: Gerland
authors.forename: R
authors.initials: R
authors.lastname: Bundschuh
authors.forename: T
authors.initials: T
authors.lastname: Hwa
mesh_terms: D001696:Biomechanical Phenomena; D001704:Biopolymers / Q000737:chemistry / Q000378:metabolism; D003198:Computer Simulation; D008956:Models, Chemical; D009690:Nucleic Acid Conformation; D009691:Nucleic Acid Denaturation; D012313:RNA / Q000737:chemistry* / Q000378:metabolism*; D012984:Software; D013816:Thermodynamics
chemical_list: D001704:Biopolymers; D012313:RNA