Geometric Analysis of Alloreactive HLA α-Helices
Molecular dynamics (MD) is a valuable tool for the investigation of functional elements in biomolecules, providing information on dynamic properties and processes. Previous work by our group has characterized static geometric properties of the two MHC α-helices comprising the peptide binding region...
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Series: | BioMed Research International |
Online Access: | http://dx.doi.org/10.1155/2014/943186 |
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doaj-8a23433af95d4d37bf73b567fd8e8db12020-11-24T22:54:35ZengHindawi LimitedBioMed Research International2314-61332314-61412014-01-01201410.1155/2014/943186943186Geometric Analysis of Alloreactive HLA α-HelicesReiner Ribarics0Rudolf Karch1Nevena Ilieva2Wolfgang Schreiner3Section of Biosimulation and Bioinformatics, Center for Medical Statistics, Informatics and Intelligent Systems (CeMSIIS), Medical University of Vienna, Spitalgasse 23, 1090 Vienna, AustriaSection of Biosimulation and Bioinformatics, Center for Medical Statistics, Informatics and Intelligent Systems (CeMSIIS), Medical University of Vienna, Spitalgasse 23, 1090 Vienna, AustriaInstitute for Nuclear Research and Nuclear Energy (INRNE), Bulgarian Academy of Sciences 72, Tzarigradsko Chaussee, Sofia 1784, BulgariaSection of Biosimulation and Bioinformatics, Center for Medical Statistics, Informatics and Intelligent Systems (CeMSIIS), Medical University of Vienna, Spitalgasse 23, 1090 Vienna, AustriaMolecular dynamics (MD) is a valuable tool for the investigation of functional elements in biomolecules, providing information on dynamic properties and processes. Previous work by our group has characterized static geometric properties of the two MHC α-helices comprising the peptide binding region recognized by T cells. We build upon this work and used several spline models to approximate the overall shape of MHC α-helices. We applied this technique to a series of MD simulations of alloreactive MHC molecules that allowed us to capture the dynamics of MHC α-helices’ steric configurations. Here, we discuss the variability of spline models underlying the geometric analysis with varying polynomial degrees of the splines.http://dx.doi.org/10.1155/2014/943186 |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Reiner Ribarics Rudolf Karch Nevena Ilieva Wolfgang Schreiner |
spellingShingle |
Reiner Ribarics Rudolf Karch Nevena Ilieva Wolfgang Schreiner Geometric Analysis of Alloreactive HLA α-Helices BioMed Research International |
author_facet |
Reiner Ribarics Rudolf Karch Nevena Ilieva Wolfgang Schreiner |
author_sort |
Reiner Ribarics |
title |
Geometric Analysis of Alloreactive HLA α-Helices |
title_short |
Geometric Analysis of Alloreactive HLA α-Helices |
title_full |
Geometric Analysis of Alloreactive HLA α-Helices |
title_fullStr |
Geometric Analysis of Alloreactive HLA α-Helices |
title_full_unstemmed |
Geometric Analysis of Alloreactive HLA α-Helices |
title_sort |
geometric analysis of alloreactive hla α-helices |
publisher |
Hindawi Limited |
series |
BioMed Research International |
issn |
2314-6133 2314-6141 |
publishDate |
2014-01-01 |
description |
Molecular dynamics (MD) is a valuable tool for the investigation of functional elements in biomolecules, providing information on dynamic properties and processes. Previous work by our group has characterized static geometric properties of the two MHC α-helices comprising the peptide binding region recognized by T cells. We build upon this work and used several spline models to approximate the overall shape of MHC α-helices. We applied this technique to a series of MD simulations of alloreactive MHC molecules that allowed us to capture the dynamics of MHC α-helices’ steric configurations. Here, we discuss the variability of spline models underlying the geometric analysis with varying polynomial degrees of the splines. |
url |
http://dx.doi.org/10.1155/2014/943186 |
work_keys_str_mv |
AT reinerribarics geometricanalysisofalloreactivehlaahelices AT rudolfkarch geometricanalysisofalloreactivehlaahelices AT nevenailieva geometricanalysisofalloreactivehlaahelices AT wolfgangschreiner geometricanalysisofalloreactivehlaahelices |
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1725658942110957568 |