Structural Bioinformatics Tools for Drug Design
Extraction of Biologically Relevant Information from Structural Databases
(Sprache: Englisch)
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...
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Klappentext zu „Structural Bioinformatics Tools for Drug Design “
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.
Inhaltsverzeichnis zu „Structural Bioinformatics Tools for Drug Design “
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.
Autoren-Porträt von Jaroslav Koca, Radka Svobodová Vareková, Lukás Pravda, Karel Berka, Stanislav Geidl, David Sehnal, Michal Otyepka
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/
Bibliographische Angaben
- Autoren: Jaroslav Koca , Radka Svobodová Vareková , Lukás Pravda , Karel Berka , Stanislav Geidl , David Sehnal , Michal Otyepka
- 2017, 1st ed. 2016, XIII, 144 Seiten, Masse: 15,5 x 23,5 cm, Kartoniert (TB), Englisch
- Verlag: Springer, Berlin
- ISBN-10: 3319473875
- ISBN-13: 9783319473871
- Erscheinungsdatum: 22.02.2017
Sprache:
Englisch
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