Quantitative In Silico Chromatography

Computational Modelling of Molecular Interactions

Nonfiction, Science & Nature, Science, Chemistry, Analytic, Physical & Theoretical
Cover of the book Quantitative In Silico Chromatography by Toshihiko Hanai, Roger M Smith, Royal Society of Chemistry
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Author: Toshihiko Hanai, Roger M Smith ISBN: 9781782621508
Publisher: Royal Society of Chemistry Publication: May 7, 2014
Imprint: Royal Society of Chemistry Language: English
Author: Toshihiko Hanai, Roger M Smith
ISBN: 9781782621508
Publisher: Royal Society of Chemistry
Publication: May 7, 2014
Imprint: Royal Society of Chemistry
Language: English

The coupling of mass spectrometry or nuclear magnetic resonance to chromatography has broadened the possibilities for determining organic reaction mechanisms. And while many results have been published reporting these, even more can be achieved through modern computational methods. Combining computational and theoretical techniques with advanced chromatographic methods offers a powerful tool for quantitatively determining molecular interactions .

This book presents the possibilities for characterising biological applications by combining analytical and computational chemistries. Written by the author of “HPLC: A Practical Guide” (RSC, 1999), the book examines not only the behaviour of biological reactions per se, but also describes the behaviour of biological molecules in chromatography systems. Various software packages are reviewed, and most computations can be performed on a standard PC using accessible software. Consideration is given to a variety of chromatographic techniques and strategies for high-sensitivity detection are presented.

The first book of its kind, it will inspire readers to explore the possibilities of combining these techniques in their own work, whether at an industrial or academic level.

View on Amazon View on AbeBooks View on Kobo View on B.Depository View on eBay View on Walmart

The coupling of mass spectrometry or nuclear magnetic resonance to chromatography has broadened the possibilities for determining organic reaction mechanisms. And while many results have been published reporting these, even more can be achieved through modern computational methods. Combining computational and theoretical techniques with advanced chromatographic methods offers a powerful tool for quantitatively determining molecular interactions .

This book presents the possibilities for characterising biological applications by combining analytical and computational chemistries. Written by the author of “HPLC: A Practical Guide” (RSC, 1999), the book examines not only the behaviour of biological reactions per se, but also describes the behaviour of biological molecules in chromatography systems. Various software packages are reviewed, and most computations can be performed on a standard PC using accessible software. Consideration is given to a variety of chromatographic techniques and strategies for high-sensitivity detection are presented.

The first book of its kind, it will inspire readers to explore the possibilities of combining these techniques in their own work, whether at an industrial or academic level.

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