Article
Molecular dynamic study of human prion protein upon D178N mutation: new perspective to H-bonds, salt bridges and the critical amino acids.
Protein and peptide letters - 1 Jul 2013
Mansouri Sakineh, Monajjemi Majid, Aghaee Hossein, Zare Karim, Minuchehr Zarrin
Abstract excerpt
The molecular dynamics simulation method was used to investigate the structural details for human prion protein (PrPN) and its D178N mutant (PrPM). Root-mean-square fluctuations (RMSFs) and the root-mean-square deviations (RMSDs) showed an increase in the flexibility and high dynamic plasticity of PrPM. Average Total energy for PrPM and PrPN sequentially was -2.975 x105 (kJmol-1) and -3.193 x 105 (kJmol-1). The...
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