Structural Bioinformatics Tools for Drug D...

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Sprache: Englisch

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Beschreibung

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.

Über den Autor

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: [...]

Zusammenfassung

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: [...]

Inhaltsverzeichnis

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.

Details

Erscheinungsjahr:	2017
Fachbereich:	Allgemeine Lexika
Genre:	Mathematik , Medizin , Naturwissenschaften , Technik
Rubrik:	Wissenschaften
Medium:	Taschenbuch
Reihe:	SpringerBriefs in Biochemistry and Molecular Biology
Inhalt:	xiii 144 S. 62 s/w Illustr. 144 p. 62 illus.
ISBN-13:	9783319473871
ISBN-10:	3319473875
Sprache:	Englisch
Herstellernummer:	978-3-319-47387-1
Einband:	Kartoniert / Broschiert
Autor:	Ko¿a, Jaroslav Svobodová Va¿eková, Radka Pravda, Luká¿ Berka, Karel Geidl, Stanislav Sehnal, David Otyepka, Michal
Hersteller:	Springer Springer International Publishing AG SpringerBriefs in Biochemistry and Molecular Biology
Verantwortliche Person für die EU:	Springer Verlag GmbH, Tiergartenstr. 17, D-69121 Heidelberg, juergen.hartmann@springer.com
Maße:	235 x 155 x 9 mm
Von/Mit:	Jaroslav Ko¿a (u. a.)
Erscheinungsdatum:	01.02.2017
Gewicht:	0,254 kg