a pace-setter within the box and one of many pioneers of this younger self-discipline has assembled right here the main favorite specialists from internationally to supply first-hand wisdom. whereas such a lot in their tools 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 have interaction with a organic procedure. quite a few pictures and screenshots illustrate the numerous examples and technique descriptions.
With its large and balanced insurance, 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 equipment in molecular design
* layout of ligands opposed to multitarget profiles
* loose strength equipment in ligand design
* Fragment-based de novo design
* computerized layout of concentrated and aim 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