Toshihiko Hanai

Quantitative In Silico Chromatography (eBook, PDF)

Computational Modelling of Molecular Interactions

• Format: PDF

Produktbeschreibung

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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Produktdetails

• Verlag: Royal Society of Chemistry
• Seitenzahl: 338
• Erscheinungstermin: 7. Mai 2014
• Englisch
• ISBN-13: 9781782620167
• Artikelnr.: 70074913

Inhaltsangabe

Preface
Introduction
Basic Concept of Moelcuar Interaction Energy Values
Design Model-Phases in Chromatography
Retention in Gas Chromatography
Retention in Normal-Phase Liquid Chromatography
Retention in Reversed-Phase Liquid Chromatography
Retention in Ion-Exchange Liquid Chromatography
Enantiomer Recognition
Human Serum Albumin-Drug Binding Affinity Based on Liquid Chromatography
Affinity and Reactivity of Proteins
Mechanism of Highly Sensitive Detection
Appendix
Subject Index