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The rapid development of efficient computational tools has allowed researchers to tackle biological problems and to predict, analyse and monitor, at an atomic level, molecular recognition processes. This book offers a fresh perspective on how computational tools can aid the chemical biology research community and drive new research.Chapters from internationally renowned leaders in the field introduce concepts and discuss the impact of technological advances in computer hardware and software in explaining and predicting phenomena involving biomolecules, from small molecules to macromolecular systems. Important topics from the understanding of biomolecules to the modification of their functions are addressed, as well as examples of the application of tools in drug discovery, glycobiology, protein design and molecular recognition. Not only are the cutting-the-edge methods addressed, but also their limitations and possible future development.For anyone wishing to learn how computational chemistry and molecular modelling can provide information not easily accessible through other experimental methods, this book will be a valuable resource. It will be of interest to postgraduates and researchers in the biological and chemical sciences, medicinal and pharmaceutical chemistry, and theoretical chemistry.
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In recent years there has been increasing evidence of the importance of carbohydrates and glycoconjugates in biomedical applications, and the use of synthetic ligands based on carbohydrates as drugs has received much attention. Focussing on drug discovery from key targets and placing an emphasis on the multi-disciplinary approaches necessary to challenge these issues, this book comprehensively covers the new and recent discoveries in the area of carbohydrate drug discovery.Carbohydrates in Drug Design and Discovery is split into five sections, beginning with a introduction and perspective on the current market. The book then goes on to discuss new synthetic methods in glycobiology, the use of glycobiology in chemical biology and glycobiology in drug discovery.Providing a worldwide perspective on this broad area, and providing examples of therapeutics already developed using these methods, this book provides a comprehensive introduction, discussion and update on this fast developing field for medicinal chemists and biochemists working in industry and academia.