Relative Movements of Domains in Large Molecules of the Immune System

Journal of Immunology Research
W SchreinerNevena Ilieva

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 α-helices, Gα1 and Gα2.

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Citations

Feb 5, 2021·Journal of Oral and Maxillofacial Surgery : Official Journal of the American Association of Oral and Maxillofacial Surgeons·Hyun Jun OhByoung-Moo Seo

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Methods Mentioned

BETA
PCA

Software Mentioned

VMD
GROMACS

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