In-Silico Approaches to Macromolecular Chemistry

Table of Contents

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?

Authors

Minu Elizabeth Thomas Researcher, School of Chemical Sciences, Mahatma Gandhi University, Kerala, India. 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. Jince Thomas Senior Research Fellow, International and Inter University Centre for Nanoscience and Nanotechnology, Mahatma Gandhi University, Kerala, India. 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. Sabu Thomas International and Inter University Centre for Nanoscience and Nanotechnology, School of Energy Materials, and School of Nanoscience and Nanotechnology, Mahatma Gandhi University, Kottayam, Kerala, India. 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. Haya Kornweitz Head of the Department of Chemical Sciences, Airel University, Israel. 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).