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Journal of Immunology Research - Volume 2015 2015, Article ID 210675, 10 pages -

Research Article

Section of Biosimulation and Bioinformatics, Center for Medical Statistics, Informatics and Intelligent Systems CeMSIIS, Medical University of Vienna, Spitalgasse 23, 1090 Vienna, Austria

Institute of Information and Communication Technologies IICT, Bulgarian Academy of Sciences, 25 A, Acad. G. Bonchev Street, 1113 Sofia, Bulgaria

Received 28 August 2015; Accepted 26 November 2015

Academic Editor: Francesco Pappalardo

Copyright © 2015 Wolfgang Schreiner et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


Molecular dynamics was used to simulate large molecules of the immune system major histocompatibility complex class I, presented epitope, T-cell receptor, and a CD8 coreceptor. To characterize the relative orientation and movements of domains local coordinate systems based on principal component analysis were generated and directional cosines and Euler angles were computed. As a most interesting result, we found that the presence of the coreceptor seems to influence the dynamics within the protein complex, in particular the relative movements of the two α-helices, Gα1 and Gα2.

Autor: Wolfgang Schreiner, Rudolf Karch, Reiner Ribarics, Michael Cibena, and Nevena Ilieva



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