In-silico Approaches to Macromolecular Chemistry

In Silico Approaches to Macromolecular Chemistry helps students, researchers and industry professionals gain a clear overview of the field, giving users the knowledge needed to understand and select the most appropriate tools for conducting and analyzing computational studies. With applications across a broad range of areas, many different methods have been developed for exploring macromolecules in silico, making it difficult for researchers to select the most appropriate for their specific needs. Covering both biopolymers and synthetic polymers, this book 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. 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 readers select the best approach for their needs INDICE: 1. Why Are In-silico Approaches Necessary for Macromolecular Chemistry?2. Theoretical tools for In-silico Macromolecular Chemistry3. Macromolecular Chemistry: An Introduction4. In-silico Approaches for Carbohydrates5. In-silico Approaches for Lipids6. In-silico Approaches for Proteins7. In-silico Approaches for Nucleic acids8. Contribution of Computational Genomics Research to the Real World9. In-silico Approaches for Olefinic polymers10. In-silico Approaches for Halopolymers11. In-silico Approaches for Elastomers12. In-silico Approaches for Aerogel13. In-silico Approaches for Xenobiotic Polymers and their Degradation Mechanism14. In-silico Approaches for Polymeric Composites15. In-silico studies of Macromolecules as Sensors16. Are Computational Approaches Critically Important for Solving Real-World Problems?

• ISBN: 978-0-323-90995-2
• Editorial: Elsevier
• Encuadernacion: Rústica
• Páginas: 510
• Fecha Publicación: 01/08/2022
• Nº Volúmenes: 1
• Idioma: Inglés