Interface surfaces for protein-protein complexes
| العنوان: | Interface surfaces for protein-protein complexes |
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| المؤلفون: | Yih-En Andrew Ban, Johannes Rudolph, Herbert Edelsbrunner |
| المصدر: | RECOMB |
| بيانات النشر: | Association for Computing Machinery (ACM), 2006. |
| سنة النشر: | 2006 |
| مصطلحات موضوعية: | Surface (mathematics), Quantitative Biology::Biomolecules, Hierarchy (mathematics), Basis (linear algebra), Interface (Java), Delaunay triangulation, Protein protein, Computational geometry, Topology, Artificial Intelligence, Hardware and Architecture, Control and Systems Engineering, Voronoi diagram, Software, Information Systems, Mathematics, Alpha shape |
| الوصف: | Protein-protein interactions, which form the basis for most cellular processes, result in the formation of protein interfaces. Believing that the local shape of proteins is crucial, we take a geometric approach and present a definition of an interface surface formed by two or more proteins as a subset of their Voronoi diagram. The definition deals with the difficult and important problem of specifying interface boundaries by invoking methods used in the alpha shape representation of molecules, the discrete flow on Delaunay simplices to define pockets and reconstruct surfaces, and the assessment of the importance of topological features. We present an algorithm to construct the surface and define a hierarchy that distinguishes core and peripheral regions. This hierarchy is shown to have correlation with hot-spots in protein-protein interactions. Finally, we study the geometric and topological properties of interface surfaces and show their high degree of contortion. |
| تدمد: | 1557-735X 0004-5411 |
| DOI: | 10.1145/1147954.1147957 |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e513521a2d9a1a0e3f30b524c3992588 https://doi.org/10.1145/1147954.1147957 |
| رقم الانضمام: | edsair.doi.dedup.....e513521a2d9a1a0e3f30b524c3992588 |
| قاعدة البيانات: | OpenAIRE |
| تدمد: | 1557735X 00045411 |
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| DOI: | 10.1145/1147954.1147957 |