Isbn: 9781849731676 - drug design strategies: computational techniques and applications: volume 20 (drug discovery series) (20 resultados)

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Condición: New. This is a Brand-new US Edition. This Item may be shipped from US or any other country as we have multiple locations worldwide.

Condición: New. This is a Brand-new US Edition. This Item may be shipped from US or any other country as we have multiple locations worldwide.

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Hardcover. Condición: new. Hardcover. 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 theory and applications of multiscale modelling of proteins and biomolecular systems. The information need for a book in this area is due to the continuing rapid advance of firstly theoretical approaches, secondly software/hardware and lastly the successful application of the technology and this book fills a gap in the literature. The co-editors have extensive experience of teaching and researching in the field and the book includes contributions from cutting-edge academic and industrial researchers in their respective fields. It is essential reading for medicinal chemists, computational chemists and those in the pharmaceutical industry. This book, aimed at academics, industrialists and post-graduates, documents the latest research into computer aided drug design. Shipping may be from multiple locations in the US or from the UK, depending on stock availability.…

Gebunden. Condición: New. This book, aimed at academics, industrialists and post-graduates, documents the latest research into computer aided drug design.&Uumlber den AutorrnrnDr Lee Banting BSc(Hons) PhD MRSC CChem, is at the Centre of Molecular Design, School of P.

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Hardcover. Condición: Brand New. 1st edition. 239 pages. 9.50x6.25x0.75 inches. In Stock.

Buch. Condición: Neu. Neuware - This book, aimed at academics, industrialists and post-graduates, documents the latest research into computer aided drug design. It starts with the theory and application of force-fields including: semi-empirical molecular orbital; density functional and ab initio calculations; Quantum Mechanical (QM) based modelling; the Atoms in Molecules (AIM) approach, and biomolecular dynamics. It then goes on to focus on the theory and application of 2D cheminformatics. This encompasses QSAR/QSPR; ADME properties of drugs; drug docking/scoring protocols and approaches; topological methodology, and modelling accurate inhibition constants of enzymes. The final chapters describe the theory and applications of multiscale modelling of proteins and biomolecular systems.…