In-Silico Approaches to Macromolecular Chemistry
- 1st Edition - February 24, 2023
- Imprint: Elsevier
- 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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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
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?
- Edition: 1
- Published: February 24, 2023
- Imprint: Elsevier
- Language: English
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
Dr. Jince Thomas is the Chief Minister's Nava Kerala Post-Doctoral Fellow at the International and Inter University Centre for Nanoscience and Nanotechnology at Mahatma Gandhi University in Kerala, India. Previously, he worked as an Assistant Professor on contract at the same institution. He earned his Ph.D. in Chemistry from Mahatma Gandhi University in 2022 under the guidance of Prof. Sabu Thomas. During 2016-2017, he worked as a project assistant on an Indo-Malaysian project in collaboration with University Technology Mara, Malaysia. Additionally, he was a visiting student at Ariel University in Israel and the University of Tennessee Knoxville, USA. Dr. Jince has contributed to numerous publications, book chapters, and edited books, with his research interests focused on polymeric membranes, electrolytes, polymer nanocomposites, and electrochemistry.
Affiliations and expertise
Post-Doctoral Fellow, International and Inter University Centre for Nanoscience and Nanotechnology, Mahatma Gandhi University, Kerala, IndiaST
Sabu Thomas
Dr. Sabu Thomas (Ph.D.) is the Director of the School of Energy Materials, School of Nanoscience and Nanotechnology of Mahatma Gandhi University, India. He received his Ph. D. in 1987 in Polymer Engineering from the Indian Institute of Technology (IIT), Kharagpur, India. He is a fellow of the Royal Society of Chemistry, London, and a member of the American Chemical Society. He has been ranked no.1 in India about the number of publications (most productive scientists). Prof. Thomas’s research group specialized areas of polymers which includes Polymer blends, Fiber filled polymer composites, Particulate-filled polymer composites and their morphological characterization, Ageing and degradation, Pervaporation phenomena, sorption and diffusion, Interpenetrating polymer systems, Recyclability and reuse of waste plastics and rubbers, Elastomer cross-linking, Dual porous nanocomposite scaffolds for tissue engineering, etc. Prof. Thomas’s research group has extensive exchange programs with different industries, research, and academic institutions all over the world and is performing world-class collaborative research in various fields. Professors Centre is equipped with various sophisticated instruments and has established state-of-the-art experimental facilities which cater to the needs of researchers within the country and abroad. His H Index- 133, Google Citations- 86424, Number of Publications- 1300, and Books-160.
Affiliations and expertise
Director of the School of Energy Materials, Founder Director of the International and Inter-University Centre for Nanoscience and Nanotechnology, and Professor in the School of Chemical Sciences, the International and Inter-University Centre for Nanoscience and Nanotechnology, and the School of Nanoscience and Nanotechnology at 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