03922nam 22006975 450 991034950820332120200703153244.03-030-25413-510.1007/978-3-030-25413-1(CKB)4100000009362524(DE-He213)978-3-030-25413-1(MiAaPQ)EBC5898222(PPN)258304626(EXLCZ)99410000000936252420190917d2019 u| 0engurnn|008mamaatxtrdacontentcrdamediacrrdacarrierDNA Systems Under Internal and External Forcing An Exploration Using Coarse-Grained Modelling /by Megan Clare Engel1st ed. 2019.Cham :Springer International Publishing :Imprint: Springer,2019.1 online resource (XV, 144 p. 70 illus., 67 illus. in color.) Springer Theses, Recognizing Outstanding Ph.D. Research,2190-50533-030-25412-7 Introduction -- Simulation Methods -- Non-equilibrium bio-molecular unfolding under tension -- Force-induced unravelling of DNA origami -- Measuring internal forces in single-stranded DNA -- Conclusions -- Appendices.The interactions of DNA with force are central to manifold fields of inquiry, including the de novo design of DNA nanostructures, the use of DNA to probe the principles of biological self-assembly, and the operation of cellular nanomachines. This work presents a survey of three distinct ways coarse-grained simulations can help characterize these interactions. A non-equilibrium energy landscape reconstruction technique is validated for use with the oxDNA model and a practical framework to guide future applications is established. A novel method for calculating entropic forces in DNA molecules is outlined and contrasted with existing, flawed approaches. Finally, a joint experimental-simulation study of large DNA origami nanostructures under force sheds light on design principles and, through vivid illustrations, their unfolding process. This text provides an accessible and exciting launching point for any student interested in the computational study of DNA mechanics and force interactions.Springer Theses, Recognizing Outstanding Ph.D. Research,2190-5053Nanoscale scienceNanoscienceNanostructuresBiomathematicsChemistry, Physical and theoreticalAtomic structure  Molecular structure Nanoscale Science and Technologyhttps://scigraph.springernature.com/ontologies/product-market-codes/P25140Mathematical and Computational Biologyhttps://scigraph.springernature.com/ontologies/product-market-codes/M31000Theoretical and Computational Chemistryhttps://scigraph.springernature.com/ontologies/product-market-codes/C25007Atomic/Molecular Structure and Spectrahttps://scigraph.springernature.com/ontologies/product-market-codes/P24017Nanoscale science.Nanoscience.Nanostructures.Biomathematics.Chemistry, Physical and theoretical.Atomic structure  .Molecular structure .Nanoscale Science and Technology.Mathematical and Computational Biology.Theoretical and Computational Chemistry.Atomic/Molecular Structure and Spectra.620.5572.86Engel Megan Clareauthttp://id.loc.gov/vocabulary/relators/aut837076MiAaPQMiAaPQMiAaPQBOOK9910349508203321DNA Systems Under Internal and External Forcing2507714UNINA