By Sun Hongmao
This booklet will not be an exhaustive survey masking all features of rational drug layout. as an alternative, it's going to supply severe information via real-world examples. correct case stories could be offered and analyzed to demonstrate the subsequent: tips to optimize a lead compound even if one has excessive or low degrees of structural info; find out how to derive hits from rivals’ energetic compounds or from typical ligands of the pursuits; the right way to springboard from rivals’ SAR wisdom in lead optimization; the best way to layout a ligand to intervene with protein-protein interactions by means of effectively interpreting the PPI interface; the way to steer clear of IP blockage utilizing facts mining; how you can build and entirely make the most of a knowledge-based molecular descriptor method; find out how to construct a competent QSAR version by way of concentrating on info caliber and correct number of molecular descriptors and statistical techniques. A sensible advisor to Rational Drug Design makes a speciality of computational drug layout, with purely simple insurance of biology and chemistry matters, comparable to assay layout, aim validation and artificial routes.
- Discusses various tactics appropriate to day-by-day drug layout
- Readers can obtain the fabrics utilized in the booklet, together with buildings, scripts, uncooked information, protocols, and codes, making this booklet appropriate source for brief classes or workshops
- Offers a different standpoint on drug discovery study a result of author’s cross-discipline schooling background
- Explores the author’s wealthy reviews in either pharmaceutical and educational settings
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A Practical Guide to Rational Drug Design by Sun Hongmao