Overview
- Presents an overview of key steps in the analysis of biomacromolecular fragments and a corresponding list of current software tools for each step of the analysis.
- Provides detailed descriptions of selected software tools for individual steps including practical examples of their application (hands-on experience).
- Provides a thorough description of a molecular language for defining biomacromolecular fragments
- Includes a detailed description of how such a language can be integrated in the software used for biomacromolecular fragments.
- Features biologically relevant examples of the whole workflow for the fragment analysis (task definition -
- Includes supplementary material: sn.pub/extras
Part of the book series: SpringerBriefs in Biochemistry and Molecular Biology (BRIEFSBIOCHEM)
Access this book
Tax calculation will be finalised at checkout
Other ways to access
Table of contents (11 chapters)
-
Front Matter
-
Patterns, Fragments and Data Sources
-
Front Matter
-
-
Detection and Extraction
-
Front Matter
-
-
Characterization
-
Front Matter
-
-
Complete Process of Data Extraction and Analysis
-
Front Matter
-
-
Conclusion
-
Front Matter
-
-
Back Matter
Keywords
About this book
The book describes the individual steps necessary for biomacromolecular fragments analysis, as well as a list of essential software tools. For each step, it also shows corresponding web-based tools in detail and provides practical examples of their use.
All tools and databases mentioned in the examples are available free of charge, platform-independent, web-based, user-friendly and do not require a prior IT background to be fully used.
Authors and Affiliations
About the authors
Prof. RNDr. Jaroslav Koca, DrSc., is director of the Central European Institute of Technology and Head of the research group Computational Chemistry at Masaryk University in Brno, Czech Republic.
His field of expertise is mathematical and computer assisted chemistry and biochemistry, computer assisted molecular modeling of biologically interesting chemical species, information technology in chemistry, biochemistry, and environmental chemistry. Last years´ projects were mainly on conformational search, molecular docking and molecular dynamics simulations on peptides, proteins, oligonucleotides, nucleotide sugars, and carbohydrates. Methods for analysis conformational potential energy surfaces and energy landscapes of chemical reactions using molecular mechanics and quantum chemistry techniques. For more information see: http://www.chemi.muni.cz/~jkoca/
Bibliographic Information
Book Title: Structural Bioinformatics Tools for Drug Design
Book Subtitle: Extraction of Biologically Relevant Information from Structural Databases
Authors: Jaroslav Koča, Radka Svobodová Vařeková, Lukáš Pravda, Karel Berka, Stanislav Geidl, David Sehnal, Michal Otyepka
Series Title: SpringerBriefs in Biochemistry and Molecular Biology
DOI: https://doi.org/10.1007/978-3-319-47388-8
Publisher: Springer Cham
eBook Packages: Biomedical and Life Sciences, Biomedical and Life Sciences (R0)
Copyright Information: The Author(s) 2016
Softcover ISBN: 978-3-319-47387-1Published: 01 February 2017
eBook ISBN: 978-3-319-47388-8Published: 24 January 2017
Series ISSN: 2211-9353
Series E-ISSN: 2211-9361
Edition Number: 1
Number of Pages: XIII, 144
Number of Illustrations: 62 b/w illustrations
Topics: Biomedical Engineering/Biotechnology, Bioinformatics, Computational Biology/Bioinformatics