
Quantitative In Silico Chromatography
Computational Modelling of Molecular Interactions
- English
- ePUB (mobile friendly)
- Available on iOS & Android
Quantitative In Silico Chromatography
Computational Modelling of Molecular Interactions
About this book
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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Information
Table of contents
- Cover
- Title
- Copyright
- Contents
- Chapter 1 Introduction
- Chapter 2 Basic Concepts of Molecular Interaction Energy Values
- Chapter 3 The Design of Model Phases for Chromatography
- Chapter 4 Retention in Gas Chromatography
- Chapter 5 Retention in Normal-Phase Liquid Chromatography
- Chapter 6 Retention in Reversed-Phase Liquid Chromatography
- Chapter 7 Retention in Ion-Exchange Liquid Chromatography
- Chapter 8 Enantioseparation
- Chapter 9 Human Serum Albumin–Drug Binding Affinity Based on Liquid Chromatography
- Chapter 10 Quantitative Analyses of Protein Affinity Chromatography
- Chapter 11 Mechanisms of Highly Sensitive Detection
- Abbreviations
- References
- Appendix
- Subject Index