By Gisbert Schneider
a pacesetter within the box and one of many pioneers of this younger self-discipline has assembled right here the main trendy 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 appropriate for chemical probes and diagnostics, insecticides, and the other molecule designed to have interaction with a organic process. a variety of photographs and screenshots illustrate the various examples and procedure descriptions.
With its large and balanced insurance, it will 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 power equipment in ligand design
* Fragment-based de novo design
* computerized layout of concentrated and goal 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 lots of more.
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Additional info for De novo Molecular Design
De novo Molecular Design by Gisbert Schneider