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Titlebook: Structural Bioinformatics Tools for Drug Design; Extraction of Biolog Jaroslav Koča,Radka Svobodová Vařeková,Michal Otye Book 2016 The Auth

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Structural Bioinformatics Databases of General Useed within these databases enables new view on the life from many aspects. This chapter describes several important structural bioinformatics databases which offer enormous possibilities for gathering analysis of available information about particular biomacromolecule, e.g., its 3D structure, sequenc
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Validation errors. The presence of ligands is a frequent source of errors in structures; therefore their validation deserves increased attention. In this chapter, we describe errors occurring in biomacromolecular structures. We also describe two common validation approaches, i.e., validation against a templat
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Detection and Extraction of Fragments. Afterwards, PatternQuery, a query language for the rigorous detection of user-defined patterns, is described in detail and utilized to provide practical examples and exercises on fragment detection. The core of the PatternQuery language is thoroughly described and the reader is carefully guided in
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Complete Process of Data Extraction and Analysisful biological information. The first project focuses on sugar-binding sites in lectins from pathogenic bacteria and shows their validation, detection, comparison and characterization. As a result, the project describes a structure of this binding site and its occurrence in organisms. The second pro
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Detection of Channels with the emphasis on channels. Additionally, a few biologically important phenomena driven by channels are drafted. Furthermore, an overview of tools for channel detection is provided with special emphasis on one of them - MOLE. Finally, the chapter is supplemented with exercises on channel identification.
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