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Relative Movements of Domains in Large Molecules of the Immune System.


ABSTRACT: 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 ?-helices, G?1 and G?2.

SUBMITTER: Schreiner W 

PROVIDER: S-EPMC4699016 | biostudies-literature | 2015

REPOSITORIES: biostudies-literature

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Relative Movements of Domains in Large Molecules of the Immune System.

Schreiner Wolfgang W   Karch Rudolf R   Ribarics Reiner R   Cibena Michael M   Ilieva Nevena N  

Journal of immunology research 20151221


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 p  ...[more]

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