Quantum Chemistry Simulation of Biological Molecules

This book covers quantum chemical simulation of molecular systems and their quantum chemical properties, alongside the most cutting-edge biomedical applications.

Eudenilson L. Albuquerque (Author), Umberto L. Fulco (Author), Ewerton W. S. Caetano (Author), Valder N. Freire (Author)

9781108477796, Cambridge University Press

Hardback, published 11 February 2021

434 pages, 239 b/w illus. 16 tables
25 x 17.6 x 2.5 cm, 0.94 kg

'Recommended.' J. A. Kelly, Choice Connect

Nano-biotechnology crosses the boundaries between physics, biochemistry and bioengineering, and has profound implications for the biomedical engineering industry. This book describes the quantum chemical simulation of a wide variety of molecular systems, with detailed analysis of their quantum chemical properties, individual molecular configurations, and cutting-edge biomedical applications. Topics covered include the basic properties of quantum chemistry and its conceptual foundations, the nanoelectronics and thermodynamics of DNA, the optoelectronic properties of the five DNA/RNA nucleobase anhydrous crystals, and key examples of molecular diode prototypes. A wide range of important applications are described, including protein binding of drugs such as cholesterol-lowering, anti-Parkinson and anti-migraine drugs, and recent developments in cancer biology are also discussed. This modern and comprehensive text is essential reading for graduate students and researchers in multidisciplinary areas of biological physics, chemical physics, chemical engineering, biochemistry and bioengineering.

1. Basic Properties of Quantum Chemistry
2. Charge Transport in the DNA Molecule
3. Electronic Transmission Spectra of the DNA Molecule
4. Thermodynamic Properties of the DNA Molecule
5. Properties of the DNA/RNA Nucleobases
6. Molecular Electronics
7. Amino Acids Anhydrous Crystals
8. Protein-Protein Systems
9. Ascorbic Acid and Ibuprofen Drugs
10. Cholesterol-lowering Drugs
11. Collagen-based Biomaterials
12. Anti-Migraine Drugs
13. Anti-Parkinson Drugs
14. Central Nervous System Disorders
15. The Biology of Cancer
Notes
References
Index.

Subject Areas: Biophysics [PHVN], Biomedical engineering [MQW]