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000128024 1001_ $$0P:(DE-HGF)0$$aCong, Xiaojing$$b0
000128024 245__ $$aDominant-negative effects in prion diseases: insights from molecular dynamics simulations on mouse prion protein chimeras
000128024 260__ $$aAbingdon, Oxon$$bTaylor & Francis$$c2013
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000128024 520__ $$aMutations in the prion protein (PrP) can cause spontaneous prion diseases in humans (Hu) and animals. In transgenic mice, mutations can determine the susceptibility to the infection of different prion strains. Some of these mutations also show a dominant-negative effect, thus halting the replication process by which wild type mouse (Mo) PrP is converted into Mo scrapie. Using all-atom molecular dynamics (MD) simulations, here we studied the structure of HuPrP, MoPrP, 10 Hu/MoPrP chimeras, and 1 Mo/sheepPrP chimera in explicit solvent. Overall, 2 μs of MD were collected. Our findings suggest that the interactions between α1 helix and N-terminal of α3 helix are critical in prion propagation, whereas the β2–α2 loop conformation plays a role in the dominant-negative effect.
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000128024 7001_ $$0P:(DE-HGF)0$$aBongarzone, Salvatore$$b1
000128024 7001_ $$0P:(DE-HGF)0$$aGiachin, Gabriele$$b2
000128024 7001_ $$0P:(DE-Juel1)145921$$aRossetti, Giulia$$b3$$eCorresponding author
000128024 7001_ $$0P:(DE-Juel1)145614$$aCarloni, Paolo$$b4
000128024 7001_ $$0P:(DE-HGF)0$$aLegname, Giuseppe$$b5
000128024 773__ $$0PERI:(DE-600)2085732-9$$a10.1080/07391102.2012.712477$$n8$$p829-840$$tJournal of biomolecular structure & dynamics: JBSD$$v31
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000128024 9141_ $$y2013
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