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In-Silico Approaches to Macromolecular Chemistry

Editat de Minu Elizabeth Thomas, Jince Thomas, Sabu Thomas, Haya Kornweitz
en Limba Engleză Paperback – 24 feb 2023
Computational approaches offer researchers unique insights into the structure, characteristics, and properties of macromolecules. However, with applications across a broad range of areas, various methods have been developed for exploring macromolecules in in silico; therefore, it can be difficult for researchers to select the most appropriate method for their specific needs. Covering both biopolymers and synthetic polymers, In-Silico Approaches to Macromolecular Chemistry familiarizes readers with the theoretical tools and software appropriate for such studies. In addition to providing essential background knowledge on both computational tools and macromolecules, the book presents in-depth studies of in silico macromolecule chemistry, discusses and compares these with experimental studies, and highlights the future potential for such approaches.
Written by specialists in their respective fields, this book helps students, researchers, and industry professionals gain a clear overview of the field, and furnishes them with the knowledge needed to understand and select the most appropriate tools for conducting and analyzing computational studies.


  • Highlights in silico studies of both bio and synthetic macromolecules in one book
  • Supports both learners and experts though a combination of detailed guidance and perspectives on the future potential for in silico approaches to macromolecules
  • Familiarizes readers with theoretical tools and software helping them select the best approach for their specific needs
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Specificații

ISBN-13: 9780323909952
ISBN-10: 0323909957
Pagini: 624
Ilustrații: 150 illustrations (50 in full color)
Dimensiuni: 152 x 229 mm
Greutate: 0.83 kg
Editura: ELSEVIER SCIENCE

Cuprins

1. Why Are In-silico Approaches Necessary for Macromolecular Chemistry?
2. Theoretical tools for In-silico Macromolecular Chemistry
3. Macromolecular Chemistry: An Introduction
4. In-silico Approaches for Carbohydrates
5. In-silico Approaches for Lipids
6. In-silico Approaches for Proteins
7. In-silico Approaches for Nucleic acids
8. Contribution of Computational Genomics Research to the Real World
9. In-silico Approaches for Olefinic polymers
10. In-silico Approaches for Halopolymers
11. In-silico Approaches for Elastomers
12. In-silico Approaches for Aerogel
13. In-silico Approaches for Xenobiotic Polymers and their Degradation Mechanism
14. In-silico Approaches for Polymeric Composites
15. In-silico studies of Macromolecules as Sensors
16. Are Computational Approaches Critically Important for Solving Real-World Problems?