Read e-book online De novo Molecular Design PDF

By Gisbert Schneider

Systematically reading present tools and methods, this prepared reference covers quite a lot of molecular buildings, from organic-chemical medicinal drugs to peptides, Proteins and nucleic acids, in response to 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 right here the main popular specialists from internationally 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 procedure. a number of pictures and screenshots illustrate the numerous 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 equipment in molecular design
* layout of ligands opposed to multitarget profiles
* unfastened strength tools in ligand design
* Fragment-based de novo design
* automatic layout of concentrated and aim family-oriented compound libraries
* Molecular de novo layout by way of nature-inspired computing
* 3D QSAR ways 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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