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Geometry Dynamics of α-Helices in Different Class I Major Histocompatibility Complexes
المؤلفون المشاركون
Schreiner, Wolfgang
Ribarics, Reiner
Ilieva, Nevena
Kenn, Michael
Karch, Rudolf
المصدر
Journal of Immunology Research
العدد
المجلد 2015، العدد 2015 (31 ديسمبر/كانون الأول 2015)، ص ص. 1-20، 20ص.
الناشر
Hindawi Publishing Corporation
تاريخ النشر
2015-11-05
دولة النشر
مصر
عدد الصفحات
20
التخصصات الرئيسية
الملخص EN
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.
نمط استشهاد جمعية علماء النفس الأمريكية (APA)
Ribarics, Reiner& Kenn, Michael& Karch, Rudolf& Ilieva, Nevena& Schreiner, Wolfgang. 2015. Geometry Dynamics of α-Helices in Different Class I Major Histocompatibility Complexes. Journal of Immunology Research،Vol. 2015, no. 2015, pp.1-20.
https://search.emarefa.net/detail/BIM-1068386
نمط استشهاد الجمعية الأمريكية للغات الحديثة (MLA)
Ribarics, Reiner…[et al.]. Geometry Dynamics of α-Helices in Different Class I Major Histocompatibility Complexes. Journal of Immunology Research No. 2015 (2015), pp.1-20.
https://search.emarefa.net/detail/BIM-1068386
نمط استشهاد الجمعية الطبية الأمريكية (AMA)
Ribarics, Reiner& Kenn, Michael& Karch, Rudolf& Ilieva, Nevena& Schreiner, Wolfgang. Geometry Dynamics of α-Helices in Different Class I Major Histocompatibility Complexes. Journal of Immunology Research. 2015. Vol. 2015, no. 2015, pp.1-20.
https://search.emarefa.net/detail/BIM-1068386
نوع البيانات
مقالات
لغة النص
الإنجليزية
الملاحظات
Includes bibliographical references
رقم السجل
BIM-1068386
قاعدة معامل التأثير والاستشهادات المرجعية العربي "ارسيف Arcif"
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