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By Jr, Kenneth M. Merz,Dagmar Ringe,Charles H. Reynolds

Structure-based (SBDD) and ligand-based (LBDD) drug layout are vitally important and energetic parts of analysis in either the tutorial and advertisement geographical regions. This booklet presents an entire photograph of the sector of computer-aided drug layout and linked experimental techniques. themes coated comprise X-ray crystallography, NMR, fragment-based drug layout, loose strength equipment, docking and scoring, linear-scaling quantum calculations, QSAR, pharmacophore tools, computational ADME-Tox, and drug discovery case reviews. quite a few authors from educational and advertisement associations worldwide have contributed to this booklet, that is illustrated with greater than 2 hundred photographs. this can be the one ebook to hide the topic of constitution and ligand-based drug layout, and it offers the main up to date info on a variety of themes for the working towards computational chemist, medicinal chemist, or structural biologist. Professor Kenneth Merz has been chosen because the recipient of the 2010 ACS Award for pcs in Chemical & Pharmaceutical learn that acknowledges the advances he has made within the use of quantum mechanics to unravel organic and drug discovery problems.

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Drug Design: Structure- and Ligand-Based Approaches by Jr, Kenneth M. Merz,Dagmar Ringe,Charles H. Reynolds

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