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Structural Bioinformatics Tools for Drug Design

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

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SpringerBriefs in Biochemistry and Molecular Biology

Structural Bioinformatics Tools for Drug Design

Extraction of Biologically Relevant Information from Structural Databases

Jaroslav Koča | Radka Svobodová Vařeková | Lukáš Pravda | Karel Berka | Stanislav Geidl | David Sehnal | Michal Otyepka

Science / Biotechnology

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.

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/


Publication Date: 01 February 2017
Publisher: Springer International Publishing
Imprint: Springer
ISBN-13: 9783319473871
Format: Paperback / softback
Page Count: 144

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