By Sun Hongmao

This ebook won't be an exhaustive survey overlaying all elements of rational drug layout. in its place, it will offer severe information via real-world examples. correct case stories should be provided and analyzed to demonstrate the subsequent: find out how to optimize a lead compound no matter if one has excessive or low degrees of structural details; tips on how to derive hits from opponents’ lively compounds or from average ligands of the ambitions; the right way to springboard from opponents’ SAR wisdom in lead optimization; tips to layout a ligand to intervene with protein-protein interactions through accurately reading the PPI interface; find out how to sidestep IP blockage utilizing facts mining; how you can build and completely make the most of a knowledge-based molecular descriptor procedure; how you can construct a competent QSAR version through targeting information caliber and correct choice of molecular descriptors and statistical techniques. A useful consultant to Rational Drug Design specializes in computational drug layout, with purely easy assurance 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 publication, together with constructions, scripts, uncooked information, protocols, and codes, making this ebook appropriate source for brief classes or workshops
  • Offers a special point of view on drug discovery learn as a result of author’s cross-discipline schooling background 
  • Explores the author’s wealthy studies in either pharmaceutical and educational settings

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