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            <title xml:lang="en">Molecular Modeling and Conformational Analysis of MuSK Protein</title>
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                <forename type="first">Vasilis</forename>
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            <idno type="halRefHtml">&lt;i&gt;8th International Conference on Artificial Intelligence Applications and Innovations (AIAI)&lt;/i&gt;, Sep 2012, Halkidiki, Greece. pp.642-650, &lt;a target="_blank" href="https://dx.doi.org/10.1007/978-3-642-33412-2_66"&gt;&amp;#x27E8;10.1007/978-3-642-33412-2_66&amp;#x27E9;&lt;/a&gt;</idno>
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                <title xml:lang="en">Molecular Modeling and Conformational Analysis of MuSK Protein</title>
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                    <forename type="first">Vasilis</forename>
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                    <forename type="first">Georgios</forename>
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                    <forename type="first">Konstantinos</forename>
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                  <date type="end">2012-09-30</date>
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                  <country key="GR">Greece</country>
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                <editor>Lazaros Iliadis</editor>
                <editor>Ilias Maglogiannis</editor>
                <editor>Harris Papadopoulos</editor>
                <editor>Kostas Karatzas</editor>
                <editor>Spyros Sioutas</editor>
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                <term xml:lang="en">neuromuscular junction</term>
                <term xml:lang="en">MuSK</term>
                <term xml:lang="en">molecular dynamics</term>
                <term xml:lang="en">homology modeling</term>
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              <p>Muscle-specific kinase is a crucial receptor tyrosine kinase required for the development and function of neuromuscular junction. Although many protein domains have already been modeled with crystallographic techniques in various organisms, a single model for the whole human structure is not yet available. A model of the entire protein was constructed by using two parallel Homology Modeling approaches, one unsupervised and one driven by the user. In addition, by applying Molecular Dynamics simulations the present study provides further insights on the structure, and the intermolecular interactions of the protein were examined. The expected semi rigid globular form of the protein was confirmed and in addition a hydrophobic core and a hydrogen bond network that enhances the stability of the molecule were observed. Furthermore, these calculations identified an intriguing rotation of Ig domains and this finding sets the base for additional hypothesis and further investigation.</p>
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              <addrLine>265 04 Rio Achaia, Patras</addrLine>
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