Abstract.
Molecular dynamics (MD) simulation is important theme in the parallel computing. MD simulations are widely used for simulating the motion of molecules in order to gain a deeper understanding of the chemical reactions, fluid flow, phase transitions, and other physical phenomena due to molecular interactions. In this study, we performed molecular dynamics simulations on monomeric and dimeric HuPrP at 300K and 500K for 10 ns to investigate the differences in the properties of the monomer and the dimer from the perspective of dynamic and structural behaviors. Simulations were also undertaken with Asp178Asn and acidic pH known as a disease-associated factor.
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Sekijima, M., Motono, C., Yamasaki, S., Kaneko, K., Akiyama, Y. (2003). Molecular Dynamics Simulation of Prion Protein by Large Scale Cluster Computing. In: Veidenbaum, A., Joe, K., Amano, H., Aiso, H. (eds) High Performance Computing. ISHPC 2003. Lecture Notes in Computer Science, vol 2858. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-540-39707-6_43
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DOI: https://doi.org/10.1007/978-3-540-39707-6_43
Publisher Name: Springer, Berlin, Heidelberg
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