Geometry Dynamics ofα-Helices in Different Class I Major Histocompatibility Complexes Article Swipe
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· 2015
· Open Access
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· DOI: https://doi.org/10.1155/2015/173593
MHC α -helices form the antigen-binding cleft and are of particular interest for immunological reactions. To monitor these helices in molecular dynamics simulations, we applied a parsimonious fragment-fitting method to trace the axes of the α -helices. Each resulting axis was fitted by polynomials in a least-squares sense and the curvature integral was computed. To find the appropriate polynomial degree, the method was tested on two artificially modelled helices, one performing a bending movement and another a hinge movement. We found that second-order polynomials retrieve predefined parameters of helical motion with minimal relative error. From MD simulations we selected those parts of α -helices that were stable and also close to the TCR/MHC interface. We monitored the curvature integral, generated a ruled surface between the two MHC α -helices, and computed interhelical area and surface torsion, as they changed over time. We found that MHC α -helices undergo rapid but small changes in conformation. The curvature integral of helices proved to be a sensitive measure, which was closely related to changes in shape over time as confirmed by RMSD analysis. We speculate that small changes in the conformation of individual MHC α -helices are part of the intrinsic dynamics induced by engagement with the TCR.
Related Topics
- Type
- article
- Language
- en
- Landing Page
- https://doi.org/10.1155/2015/173593
- https://downloads.hindawi.com/journals/jir/2015/173593.pdf
- OA Status
- gold
- Cited By
- 3
- References
- 43
- Related Works
- 10
- OpenAlex ID
- https://openalex.org/W2123477542
Raw OpenAlex JSON
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https://openalex.org/W2123477542Canonical identifier for this work in OpenAlex
- DOI
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https://doi.org/10.1155/2015/173593Digital Object Identifier
- Title
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Geometry Dynamics ofα-Helices in Different Class I Major Histocompatibility ComplexesWork title
- Type
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articleOpenAlex work type
- Language
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enPrimary language
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2015Year of publication
- Publication date
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2015-01-01Full publication date if available
- Authors
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Reiner Ribarics, Michael Kenn, Rudolf Karch, Nevena Ilieva, Wolfgang SchreinerList of authors in order
- Landing page
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https://doi.org/10.1155/2015/173593Publisher landing page
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https://downloads.hindawi.com/journals/jir/2015/173593.pdfDirect link to full text PDF
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YesWhether a free full text is available
- OA status
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goldOpen access status per OpenAlex
- OA URL
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https://downloads.hindawi.com/journals/jir/2015/173593.pdfDirect OA link when available
- Concepts
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Class (philosophy), Dynamics (music), Major histocompatibility complex, Geometry, Mathematics, Physics, Genetics, Biology, Computer science, Gene, Artificial intelligence, AcousticsTop concepts (fields/topics) attached by OpenAlex
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3Total citation count in OpenAlex
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2022: 2, 2019: 1Per-year citation counts (last 5 years)
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43Number of works referenced by this work
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10Other works algorithmically related by OpenAlex
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