Structural Bioinformatics Tools for Drug Design
Extraction of Biologically Relevant Information from Structural Databases
Page
%P
12 Result(s)
within
Karel Berka
Biomedicine
-
Book
-
Chapter
Concluding Remarks
This chapter summarizes the purpose and goals of the book.
-
Chapter
Biomacromolecular Fragments and Patterns
Structural bioinformatics is flourishing from the increased public availability of high-resolution biomacromolecular structures. Careful analysis of these models enables us to study their important structural ...
-
Chapter
Validation
The validation of biomacromolecular structures has become a very important topic, because some published structures have been found to contain serious errors. The presence of ligands is a frequent source of er...
-
Chapter
Detection of Channels
Channels are ligand-accessible pathways inside a biomacromolecular structure. These empty voids inside a structure are composed of the surrounding residues, and as such can be viewed as a form of pattern. Impo...
-
Chapter
Channel Characteristics
Channels are important parts of biomacromolecular structures, because they facilitate the access of ligands to biomacromolecular voids, e.g., active sites, or through a biomacromolecular structure, e.g., trans...
-
Chapter
Introduction
Structural bioinformatics offers us a way to benefit from the current enormous volume of biological data and use them to increase our understanding of molecular biology, with further applications in protein en...
-
Chapter
Detection and Extraction of Fragments
This chapter introduces tools for the detection and extraction of biomacromolecular fragments (patterns) of interest from biomacromolecular structures. Afterwards, PatternQuery, a query language for the rigoro...
-
Chapter
Characterization via Charges
provide information about the distribution of electron density within a molecule. Specifically, they reflect the amount of electron density attributed to individual atoms. Information about partial atomic ...
-
Chapter
Complete Process of Data Extraction and Analysis
This chapter provides two bioinformatics projects, which puts all of the above together in a complete and comprehensible package that provides meaningful biological information. The first project focuses on su...
-
Chapter
Exercises Solution
This chapter contains the solutions to the practical exercises, which are focused on work with databases, the validation of structures, detection and extraction of fragments, detection of channels, characteriz...
-
Chapter
Structural Bioinformatics Databases of General Use
Nowadays life sciences are filled with data gathered from many sources and these biological data are stored in many databases. Analysis of data gathered within these databases enables new view on the life from...
