By Gisbert Schneider

Systematically reading present equipment and techniques, this prepared reference covers quite a lot of molecular constructions, from organic-chemical medicines to peptides, Proteins and nucleic acids, in keeping with rising new drug periods derived from biomacromolecules.

a pace-setter within the box and one of many pioneers of this younger self-discipline has assembled the following the main widespread specialists from the world over to supply first-hand wisdom. whereas such a lot 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 method. a variety of pictures and screenshots illustrate the various examples and process descriptions.

With its wide and balanced assurance, 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
* unfastened strength tools in ligand design
* Fragment-based de novo design
* automatic layout of targeted and goal family-oriented compound libraries
* Molecular de novo layout by way of nature-inspired computing
* 3D QSAR methods to de novo drug design
* Bioisosteres in de novo design
* De novo layout of peptides, proteins and nucleic acid constructions, together with RNA aptamers

and plenty of more.

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De novo Molecular Design by Gisbert Schneider


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