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Erschienen in:
2006 | OriginalPaper | Buchkapitel
Secondary and Tertiary Structural Fold Elucidation from 3D EM Maps of Macromolecules
verfasst von : Chandrajit Bajaj, Samrat Goswami
Erschienen in: Computer Vision, Graphics and Image Processing
Verlag: Springer Berlin Heidelberg
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Recent advances in three dimensional Electron Microscopy (3D EM) have given an opportunity to look at the structural building blocks of proteins (and nucleic acids) at varying resolutions. In this paper, we provide algorithms to detect the secondary structural motifs (
α
-helices and
β
-sheets) from proteins for which the volumetric maps are reconstructed at 5−10 Å resolution. Additionally, we show that when the resolution is coarser than 10 Å, some of the tertiary structural motifs can be detected from 3D EM. For both these algorithms, we employ the tools from computational geometry and differential topology, specifically the computation of stable/unstable manifolds of certain critical points of the distance function induced by the molecular surface. With the results in this paper, we thus draw a connection between the mathematically well-defined concepts with the bio-chemical structural folds of proteins.