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Drug Design Strategies: Computational Techniques and Applications

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Drug Design Strategies: Computational Techniques and Applications - Banting, Lee (Editor), and Clark, Tim (Editor)
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This book documents the latest research into the theory and application of force-fields, semi-empirical molecular orbital, density functional and ab initio calculations, Quantum Mechanical (QM) based modelling, Atoms in Molecules (AIM) approach, and biomolecular dynamics. It also covers theory and application of 2D cheminformatics, QSAR/QSPR, ADME properties of drugs, drug docking/scoring protocols and approaches, topological methodology, and modelling accurate inhibition constants of enzymes. Finally, the book gives the ...

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Drug Design Strategies: Computational Techniques and Applications 2012, Royal Society of Chemistry, Cambridge

ISBN-13: 9781849731676

Hardcover