By Gisbert Schneider
a pacesetter within the box and one of many pioneers of this younger self-discipline has assembled right here the main well known specialists from internationally to supply first-hand wisdom. whereas so much in their equipment and examples come from the world of pharmaceutical discovery and improvement, the methods are both appropriate for chemical probes and diagnostics, insecticides, and the other molecule designed to engage with a organic process. quite a few photographs and screenshots illustrate the numerous examples and procedure descriptions.
With its vast 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 equipment in molecular design
* layout of ligands opposed to multitarget profiles
* loose power tools in ligand design
* Fragment-based de novo design
* computerized layout of centred and aim family-oriented compound libraries
* Molecular de novo layout via 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 plenty of more.
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Extra resources for De novo Molecular Design
De novo Molecular Design by Gisbert Schneider