Structure-based (SBDD) and ligand-based (LBDD) drug layout are vitally important and energetic components of analysis in either the educational and advertisement nation-states. This publication offers a whole photograph of the sector of computer-aided drug layout and linked experimental methods. subject matters coated contain X-ray crystallography, NMR, fragment-based drug layout, loose power equipment, docking and scoring, linear-scaling quantum calculations, QSAR, pharmacophore equipment, computational ADME-Tox, and drug discovery case reviews. various authors from educational and advertisement associations world wide have contributed to this booklet, that is illustrated with greater than two hundred pictures. this can be the one booklet to hide the topic of constitution and ligand-based drug layout, and it offers the main up to date info on quite a lot of themes for the training computational chemist, medicinal chemist, or structural biologist.
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