By Sun Hongmao
This ebook will not be an exhaustive survey masking all facets of rational drug layout. in its place, it's going to offer serious information via real-world examples. proper case experiences might be awarded and analyzed to demonstrate the subsequent: tips on how to optimize a lead compound no matter if one has excessive or low degrees of structural details; how you can derive hits from opponents’ energetic compounds or from common ligands of the ambitions; how you can springboard from opponents’ SAR wisdom in lead optimization; find out how to layout a ligand to intrude with protein-protein interactions by way of appropriately reading the PPI interface; the way to sidestep IP blockage utilizing info mining; tips to build and entirely make the most of a knowledge-based molecular descriptor procedure; tips to construct a competent QSAR version by means of concentrating on information caliber and correct choice of molecular descriptors and statistical techniques. A functional consultant to Rational Drug Design makes a speciality of computational drug layout, with basically simple assurance of biology and chemistry matters, 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 publication, together with buildings, scripts, uncooked info, protocols, and codes, making this booklet compatible source for brief classes or workshops
- Offers a different point of view on drug discovery study as a result of author’s cross-discipline schooling background
- Explores the author’s wealthy reports in either pharmaceutical and educational settings
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Additional resources for A Practical Guide to Rational Drug Design
A Practical Guide to Rational Drug Design by Sun Hongmao