Structural Bioinformatics Tools for Drug Design Extraction of Biologically Relevant Information from Structural Databases /

• Main Authors: Koča, Jaroslav (Author), Svobodová Vařeková, Radka (Author), Pravda, Lukáš (Author), Berka, Karel (Author), Geidl, Stanislav (Author), Sehnal, David (Author), Otyepka, Michal (Author)
• Corporate Author: SpringerLink (Online service)
• Format: Electronic eBook
• Language: English
• Published: Cham : Springer International Publishing : Imprint: Springer, 2016.
• Series: SpringerBriefs in Biochemistry and Molecular Biology,
• Subjects: Medicine.; Biomedical engineering.; Bioinformatics.; Biomedicine.; Biomedical Engineering/Biotechnology.; Computational Biology/Bioinformatics.

A large amount of structural data on biomacromolecules is available and the number of resolved structures is growing rapidly. This implies that we have an increasing opportunity to perform so far unprecedented analyses to obtain crucial biological insight. Biomacromolecular structural fragments such...

Table of Contents:

• 1. Introduction
• 2. Biomacromolecular fragments
• 3. Databases
• 4. Detection & Extraction
• a. Biomacromolecular fragments and structural patterns
• b. channels and pores
• 5. Validation
• 6. Characterization
• a. Partial atomic charges
• b. Channel characteristics
• 7. Selected Examples.