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

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 nation-states. This booklet offers an entire picture of the sphere of computer-aided drug layout and linked experimental methods. issues lined contain X-ray crystallography, NMR, fragment-based drug layout, unfastened power tools, docking and scoring, linear-scaling quantum calculations, QSAR, pharmacophore equipment, computational ADME-Tox, and drug discovery case reports. quite a few authors from educational and advertisement associations around the globe have contributed to this booklet, that's illustrated with greater than 2 hundred photographs. this can be the single e-book to hide the topic of constitution and ligand-based drug layout, and it presents the main updated info on a variety of subject matters for the training computational chemist, medicinal chemist, or structural biologist. Professor Kenneth Merz has been chosen because the recipient of the 2010 ACS Award for desktops in Chemical & Pharmaceutical examine that acknowledges the advances he has made within the use of quantum mechanics to unravel organic and drug discovery problems.

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