New PDF release: De novo Molecular Design

By Gisbert Schneider

ISBN-10: 3527334610

ISBN-13: 9783527334612

Systematically analyzing present equipment and techniques, this prepared reference covers a variety of molecular constructions, from organic-chemical medications to peptides, Proteins and nucleic acids, according to rising new drug periods derived from biomacromolecules.

a pacesetter within the box and one of many pioneers of this younger self-discipline has assembled right here the main admired specialists from the world over to supply first-hand wisdom. whereas so much in their equipment and examples come from the realm of pharmaceutical discovery and improvement, the ways are both appropriate for chemical probes and diagnostics, insecticides, and the other molecule designed to have interaction with a organic procedure. quite a few photos and screenshots illustrate the various examples and strategy descriptions.

With its vast and balanced assurance, this can 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
* automatic layout of targeted and goal family-oriented compound libraries
* Molecular de novo layout through 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 constructions, together with RNA aptamers

and lots of more.

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De novo Molecular Design by Gisbert Schneider

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