By Sun Hongmao
This publication won't be an exhaustive survey protecting all features of rational drug layout. as a substitute, it will offer serious information via real-world examples. proper case stories may be offered and analyzed to demonstrate the subsequent: the right way to optimize a lead compound even if one has excessive or low degrees of structural details; how you can derive hits from opponents’ energetic compounds or from traditional ligands of the ambitions; the right way to springboard from opponents’ SAR wisdom in lead optimization; how one can layout a ligand to intrude with protein-protein interactions via accurately analyzing the PPI interface; tips to stay clear of IP blockage utilizing information mining; find out how to build and completely make the most of a knowledge-based molecular descriptor approach; how one can construct a competent QSAR version by means of concentrating on information caliber and correct collection of molecular descriptors and statistical ways. A useful advisor to Rational Drug Design makes a speciality of computational drug layout, with in basic terms uncomplicated insurance of biology and chemistry concerns, comparable 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 booklet, together with buildings, scripts, uncooked information, protocols, and codes, making this ebook appropriate source for brief classes or workshops
- Offers a distinct perspective on drug discovery examine as a result 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