Browsing Revistas Científicas Pontificia Universidad Javeriana by Subject "H-bond, molecular dynamics, PNW, mechanical unfolding"

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    • Unfolding Ubiquitin by force: water mediated H-bond destabilization 

      Pabón, Germán; Departamento de Física Facultad de Ciencias Pontificia Universidad Javeriana; Amzel, Mario; Department of Biophysics and Biophysical Chemistry, Johns Hopkins University School of Medicine. Baltimore, USA.
      Using the “pull and wait” (PNW) simulation protocol at 300 K, we studied the unfolding by force of an ubiquitin molecule. PNW was implemented in the CHARMM program using an integration time step of 1 fs and a uniform ...