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In-Silico Approaches to Macromolecular Chemistry
- 1st Edition - February 24, 2023
- Editors: Minu Elizabeth Thomas, Jince Thomas, Sabu Thomas, Haya Kornweitz
- Language: English
- Paperback ISBN:9 7 8 - 0 - 3 2 3 - 9 0 9 9 5 - 2
- eBook ISBN:9 7 8 - 0 - 3 2 3 - 9 0 9 9 6 - 9
Computational approaches offer researchers unique insights into the structure, characteristics, and properties of macromolecules. However, with applications across a broad range of… Read more
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Request a sales quoteComputational 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
Upper-level graduates and researchers in the fields of computational chemistry, materials chemistry, polymer science and nanoscience across both academia and industry
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?
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?
- No. of pages: 624
- Language: English
- Edition: 1
- Published: February 24, 2023
- Imprint: Elsevier
- Paperback ISBN: 9780323909952
- eBook ISBN: 9780323909969
MT
Minu Elizabeth Thomas
Minu Elizabeth Thomas is a researcher with the division of physical chemistry at Mahatma Gandhi University. She has particular expertise in the field of computational chemistry, using quantum chemistry methods to model and analyze the characteristics and properties of molecular structures. She has authored 3 publications.
Affiliations and expertise
Researcher, School of Chemical Sciences, Mahatma Gandhi University, Kerala, IndiaJT
Jince Thomas
Jince Thomas is a Senior Research Fellow at the International and Inter University Centre for Nanoscience and Nanotechnology, Mahatma Gandhi University, Kerala, India. He has an MTech in Polymer Science and Technology and an MSc in Chemistry. Prior to taking up his current position, he also worked at the University of Tennessee Knoxville, USA. Jince’s research focuses on polymer blends, polymer nanocomposites, conductive and insulating polymer composites and biomaterials. He has authored multiple papers, three book chapters, and co-edited 2 books.
Affiliations and expertise
Senior Research Fellow, International and Inter University Centre for Nanoscience and Nanotechnology, Mahatma Gandhi University, Kerala, IndiaST
Sabu Thomas
Prof. Sabu Thomas is the Director of the International and Interuniversity Centre for Nanoscience and Nanotechnology at Mahatma Gandhi University in Kerala, India. He also serves as the Chairman of Trivandrum Engineering Science and Technology Research Park (TrESPARK) in Kerala, India. Formerly, he was the Vice Chancellor of Mahatma Gandhi University. His ground-breaking research has covered the areas of polymer science and engineering, polymer nanocomposites, elastomers, polymer blends, interpenetrating polymer networks, polymer membranes, green composites and nanocomposites, nanomedicine, and green nanotechnology. Prof. Thomas has received several national and international awards in recognition for his work and recently received Honoris Causa (DSc) from the University of South Brittany, Lorient, France, in recognition for his contributions to polymer science and engineering. Prof. Thomas has published more than 1400 peer-reviewed research papers, reviews, and book chapters. He has also edited and written 210 books. His H-index stands at 139, accompanied by a citation count of 43,000.
Affiliations and expertise
International and Inter University Centre for Nanoscience and Nanotechnology, School of Energy Materials, and School of Nanoscience and Nanotechnology, Mahatma Gandhi University, Kottayam, Kerala, IndiaHK
Haya Kornweitz
Prof. Haya Kornweitz is head of the Department of Chemical Science at Airel University, Israel. She has expertise in the fields of Computational Chemistry (molecular and solid state), Theoretical chemistry and Molecular dynamics, studying the geometry and thermodynamics of molecules and exploring the mechanisms of considered reactions. Prof Kornweitz has published 42 papers in the field and was an editor of two journal special issues (J. Coord. Chem. and in Israel Journal of Chemistry).
Affiliations and expertise
Head of the Department of Chemical Sciences, Airel University, IsraelRead In-Silico Approaches to Macromolecular Chemistry on ScienceDirect