By Wei Zhang
This distinctive quantity examines computer-aided drug discovery (CADD), a vital part of smooth drug discovery courses that's broadly applied to identification and optimize bioactive compounds for the improvement of recent medications. With a spotlight at the equipment which are widespread within the early level of drug discovery, chapters discover desktop simulation, constitution prediction, conformational sampling, binding web site mapping, docking and scoring, in silico screening, and fragment-based drug design. as well as the state of the art theoretical notion, this ebook additionally contains step by step, with ease reproducible computational protocols in addition to examples of varied CADD strategies. the constraints and strength pitfalls of other computational equipment are mentioned through specialists, and assistance and suggestion for his or her functions are suggested.
functional and thorough, Computer-Aided Drug Discovery serves as an amazing addition to the Methods in Pharmacology and Toxicology sequence, guiding researchers towards their lab’s pursuits with this fascinating and flexible expertise.
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