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Bioinformatics

New PDF release: Bioinformatics--from genomes to drugs

By Thomas Lengauer, Raimund Mannhold, Hugo Kubinyi, Hendrik Timmerman

ISBN-10: 3527299882

ISBN-13: 9783527299881

Bioinformatics - using desktops to retrieve, approach, study and simulate organic info - delivers to revolutionize the method of drug discovery and improvement. This publication presents a wide, application-oriented review of this know-how. Contributions by means of across the world popular experts within the box find the money for a close perception into unmarried bioinformatics elements and algorithmic equipment. moreover, the cutting-edge in bioinformatics is evaluated both from a world view through introducing genuine software situations resembling genome initiatives that require using an entire set of bioinformatics instruments. The profound wisdom on bioinformatics offered right here not just allows readers to head past a trifling push-button method of utilizing bioinformatics software program and reading the information generated safely. it's also necessary to examine the capability and barriers of ultra-modern bioinformatics software program and destiny demanding situations. Directed to all these serious about the use or improvement of recent bioinformatics instruments - scientists and executives from the fields of molecular biotechnology, pharmaceutics, and medicinal chemistry - this e-book will lead one step extra for you to rational drug layout

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Example text

They are hydrophilic, while the hydrophobic amino acids tend to avoid exposure to water. Charge, size, or ¯exibility in the backbone are only some of the other examples of amino acid parameters. These parameters are usually measured on a numerical scale such that for every parameter there exists a table assigning a number to each amino acid. For the case of hydrophobicity two such scales have become famous. The ®rst is due to Hopp and Woods [1] while the other is due to Kyte and Doolittle [2].

At the same time it has become clear that even this approach is unlikely to give perfect predictions because, in known crystal structures, one and the same 5-mer of residues will be found in di€erent secondary structures [24]. Other approaches like the one due to Solovyev and Salamov [25] assemble di€erent characteristics for a short stretch (singlet and doublet secondary structure preferences, hydrophobic moment) of amino acids and apply linear discriminant analysis in order to derive a predictor for the secondary structure of a region.

However, to this day rational drug design has been hampered by the fact that the structure of the target protein will not be known for many pharmaceutical projects for some time to come. For instance, many diseases involve target proteins that reside in the cell membrane, and we cannot expect the 3D structure of such proteins to become known soon. With the advent of high-throughput screening, the binding anity of as many as several hundred thousands drug candidates to the target protein can now be assayed within a day.

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Bioinformatics--from genomes to drugs by Thomas Lengauer, Raimund Mannhold, Hugo Kubinyi, Hendrik Timmerman


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