By Gisbert Schneider

ISBN-10: 3527334610

ISBN-13: 9783527334612

Systematically analyzing present equipment and methods, this prepared reference covers a variety of molecular buildings, from organic-chemical medicinal drugs to peptides, Proteins and nucleic acids, in accordance with rising new drug periods derived from biomacromolecules.

a pacesetter within the box and one of many pioneers of this younger self-discipline has assembled the following the main famous specialists from internationally to supply first-hand wisdom. whereas so much in their tools and examples come from the realm of pharmaceutical discovery and improvement, the methods are both acceptable for chemical probes and diagnostics, insecticides, and the other molecule designed to have interaction with a organic approach. a variety of photographs and screenshots illustrate the various examples and process descriptions.

With its extensive and balanced insurance, this may be the firststop source not just for medicinal chemists, biochemists and biotechnologists, yet both for bioinformaticians and molecular designers for a few years to come.

From the content:

* Reaction-driven de novo design
* Adaptive tools in molecular design
* layout of ligands opposed to multitarget profiles
* loose strength equipment in ligand design
* Fragment-based de novo design
* computerized layout of targeted and objective family-oriented compound libraries
* Molecular de novo layout by way of nature-inspired computing
* 3D QSAR techniques to de novo drug design
* Bioisosteres in de novo design
* De novo layout of peptides, proteins and nucleic acid buildings, together with RNA aptamers

and plenty of more.

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De novo Molecular Design by Gisbert Schneider

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