Happy holidays from us to you—get up to $30 off your next print or eBook! Shop now >>

SpringerBriefs in Biochemistry and Molecular Biology

Structural Bioinformatics Tools for Drug Design

Extraction of Biologically Relevant Information from Structural Databases

Authors: Koča, J., Svobodová Vařeková, R., Pravda, L., Berka, K., Geidl, S., Sehnal, D., Otyepka, M.

  • 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 -> biomacromolecular fragment characterization -> database search and data extraction -> data validation -> atomic charge calculation and/or channel analysis -> conclusions)          
see more benefits

Buy this book

eBook 44,02 €
price for China (P.R.) (gross)
  • ISBN 978-3-319-47388-8
  • Digitally watermarked, DRM-free
  • Included format: PDF, EPUB
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Softcover 54,99 €
price for China (P.R.) (gross)
  • ISBN 978-3-319-47387-1
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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.

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/

Table of contents (11 chapters)

  • Introduction

    Koča, Jaroslav (et al.)

    Pages 1-4

    Preview Buy Chapter 24,95 €
  • Biomacromolecular Fragments and Patterns

    Koča, Jaroslav (et al.)

    Pages 7-15

    Preview Buy Chapter 24,95 €
  • Structural Bioinformatics Databases of General Use

    Koča, Jaroslav (et al.)

    Pages 17-30

    Preview Buy Chapter 24,95 €
  • Validation

    Koča, Jaroslav (et al.)

    Pages 31-39

    Preview Buy Chapter 24,95 €
  • Detection and Extraction of Fragments

    Koča, Jaroslav (et al.)

    Pages 43-57

    Preview Buy Chapter 24,95 €

Buy this book

eBook 44,02 €
price for China (P.R.) (gross)
  • ISBN 978-3-319-47388-8
  • Digitally watermarked, DRM-free
  • Included format: PDF, EPUB
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Softcover 54,99 €
price for China (P.R.) (gross)
  • ISBN 978-3-319-47387-1
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Loading...

Recommended for you

Loading...

Bibliographic Information

Bibliographic Information
Book Title
Structural Bioinformatics Tools for Drug Design
Book Subtitle
Extraction of Biologically Relevant Information from Structural Databases
Authors
Series Title
SpringerBriefs in Biochemistry and Molecular Biology
Copyright
2016
Publisher
Springer International Publishing
Copyright Holder
The Author(s)
eBook ISBN
978-3-319-47388-8
DOI
10.1007/978-3-319-47388-8
Softcover ISBN
978-3-319-47387-1
Series ISSN
2211-9353
Edition Number
1
Number of Pages
XIII, 144
Number of Illustrations
62 b/w illustrations
Topics