HLA-Modeler : Automated Homology Modeling of Human Leukocyte Antigens
Joint Authors
Hirayama, Noriaki
Kataoka, Ryoichi
Ikegami, Takashi
Amari, Shinji
Source
International Journal of Medicinal Chemistry
Issue
Vol. 2013, Issue 2013 (31 Dec. 2013), pp.1-6, 6 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2013-11-27
Country of Publication
Egypt
No. of Pages
6
Main Subjects
Abstract EN
The three-dimensional (3D) structures of human leukocyte antigen (HLA) molecules are indispensable for the studies on the functions at molecular level.
We have developed a homology modeling system named HLA-modeler specialized in the HLA molecules.
Segment matching algorithm is employed for modeling and the optimization of the model is carried out by use of the PFROSST force field considering the implicit solvent model.
In order to efficiently construct the homology models, HLA-modeler uses a local database of the 3D structures of HLA molecules.
The structure of the antigenic peptide-binding site is important for the function and the 3D structure is highly conserved between various alleles.
HLA-modeler optimizes the use of this structural motif.
The leave-one-out cross-validation using the crystal structures of class I and class II HLA molecules has demonstrated that the rmsds of nonhydrogen atoms of the sites between homology models and crystal structures are less than 1.0 Å in most cases.
The results have indicated that the 3D structures of the antigenic peptide-binding sites can be reproduced by HLA-modeler at the level almost corresponding to the crystal structures.
American Psychological Association (APA)
Amari, Shinji& Kataoka, Ryoichi& Ikegami, Takashi& Hirayama, Noriaki. 2013. HLA-Modeler : Automated Homology Modeling of Human Leukocyte Antigens. International Journal of Medicinal Chemistry،Vol. 2013, no. 2013, pp.1-6.
https://search.emarefa.net/detail/BIM-490827
Modern Language Association (MLA)
Amari, Shinji…[et al.]. HLA-Modeler : Automated Homology Modeling of Human Leukocyte Antigens. International Journal of Medicinal Chemistry No. 2013 (2013), pp.1-6.
https://search.emarefa.net/detail/BIM-490827
American Medical Association (AMA)
Amari, Shinji& Kataoka, Ryoichi& Ikegami, Takashi& Hirayama, Noriaki. HLA-Modeler : Automated Homology Modeling of Human Leukocyte Antigens. International Journal of Medicinal Chemistry. 2013. Vol. 2013, no. 2013, pp.1-6.
https://search.emarefa.net/detail/BIM-490827
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-490827