By Sun Hongmao
This booklet will not be an exhaustive survey masking all facets of rational drug layout. as a substitute, it will offer severe knowledge via real-world examples. appropriate case experiences should be offered and analyzed to demonstrate the subsequent: how you can optimize a lead compound even if one has excessive or low degrees of structural info; the best way to derive hits from opponents’ lively compounds or from traditional ligands of the pursuits; tips on how to springboard from opponents’ SAR wisdom in lead optimization; how you can layout a ligand to intervene with protein-protein interactions by way of effectively interpreting the PPI interface; tips to stay clear of IP blockage utilizing info mining; find out how to build and entirely make the most of a knowledge-based molecular descriptor procedure; the best way to construct a competent QSAR version by way of concentrating on information caliber and correct collection of molecular descriptors and statistical techniques. A functional consultant to Rational Drug Design makes a speciality of computational drug layout, with purely easy insurance of biology and chemistry concerns, corresponding to assay layout, aim validation and artificial routes.
- Discusses various tactics acceptable to day-by-day drug layout
- Readers can obtain the fabrics utilized in the e-book, together with constructions, scripts, uncooked info, protocols, and codes, making this e-book compatible source for brief classes or workshops
- Offers a distinct point of view on drug discovery learn end result of the author’s cross-discipline schooling background
- Explores the author’s wealthy stories in either pharmaceutical and educational settings
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A Practical Guide to Rational Drug Design by Sun Hongmao