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Browsing by Subject "Molecular dynamics"

Browsing by Subject "Molecular dynamics"

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  • Mökkönen, Harri (Aalto University, Helsinki;University of Iceland, Reykjavik, 2016)
    A polymer escaping from a confining external potential represents a generic description of long macromolecules crossing an energy barrier. This type of barrier crossing problems are typical in nano- and microscale polymeric systems, where the polymers ...
  • Heinz, Marcel; Erlenbach, Nicole; Stelzl, Lukas S; Thierolf, Grace; Kamble, Nilesh Ramesh; Sigurdsson, Snorri; Prisner, Thomas F.; Hummer, Gerhard (Oxford University Press (OUP), 2019-11-28)
    Pulsed electron paramagnetic resonance (EPR) experiments, among them most prominently pulsed electron-electron double resonance experiments (PELDOR/DEER), resolve the conformational dynamics of nucleic acids with high resolution. The wide application ...
  • Ougaard Dohn, Asmus; Selli, Daniele; Fazio, Gianluca; Ferraro, Lorenzo; Mortensen, Jens; Civalleri, Bartolomeo; Di Valentin, Cristiana (MDPI AG, 2018-11-13)
    Metal oxide nanoparticles (NPs) are regarded as good candidates for many technological applications, where their functional environment is often an aqueous solution. The correct description of metal oxide electronic structure is still a challenge for ...