Structural Bioinformatics Tools for Drug Design

Extraction of Biologically Relevant Information from Structural Databases

AvJaroslav Koča,Radka Svobodová Vařeková

Häftad, Engelska, 2017

Del i serien SpringerBriefs in Biochemistry and Molecular Biology

616 kr

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Beskrivning

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.

Produktinformation

Utgivningsdatum:2017-02-01
Mått:155 x 235 x 9 mm
Vikt:254 g
Format:Häftad
Språk:Engelska
Serie:SpringerBriefs in Biochemistry and Molecular Biology
Antal sidor:144
Upplaga:17001
Förlag:Springer International Publishing AG
ISBN:9783319473871

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Mer om författaren

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/

Innehållsförteckning

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.