Chapter 14. From Atoms in Amino Acids to the Genetic Code and Protein Stability, and Backwards

  1. Prof. Chérif F. Matta1,2
  1. Prof. Chérif F. Matta1,2

Published Online: 25 JUN 2010

DOI: 10.1002/9783527629213.ch14

Quantum Biochemistry

Quantum Biochemistry

How to Cite

Matta, C. F. (2010) From Atoms in Amino Acids to the Genetic Code and Protein Stability, and Backwards, in Quantum Biochemistry (ed C. F. Matta), Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany. doi: 10.1002/9783527629213.ch14

Editor Information

  1. 1

    Mount Saint Vincent University, Department of Chemistry and Physics, Halifax, Nova Scotia B3M 2J6, Canada

  2. 2

    Dept. of Chemistry, Dalhousie University, Halifax, Nova Scotia, Canada B3H 4J3

Author Information

  1. 1

    Mount Saint Vincent University, Department of Chemistry and Physics, Halifax, Nova Scotia B3M 2J6, Canada

  2. 2

    Dept. of Chemistry, Dalhousie University, Halifax, Nova Scotia, Canada B3H 4J3

  1. The construction of the title of this chapter has been inspired by a chapter by Professors Piero Macchi and Angelo Sironi entitled “Interactions Involving Metals: From ‘Chemical Categories’ to QTAIM and Backwards” published in 2007. I have obtained their permission to adopt a similar construction.

Publication History

  1. Published Online: 25 JUN 2010
  2. Published Print: 10 FEB 2010

ISBN Information

Print ISBN: 9783527323227

Online ISBN: 9783527629213

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Keywords:

  • Amino acids;
  • DNA and RNA bases;
  • genetic code;
  • protein stability;
  • hydration energy;
  • partial molar volumes;
  • electron density;
  • Dirac observables;
  • electron density;
  • Hartree–Fock and DFT calculations;
  • quantum theory of atoms in molecules (QTAIM);
  • X-ray crystallography

Summary

This chapter contains sections titled:

  • Context of the Work

  • The Electron Density ϱ(r) as an Indirectly Measurable Dirac Observable

  • Brief Review of Some Basic Concepts of the Quantum Theory of Atoms in Molecules

  • Computational Approach and Level of Theory

  • Empirical Correlations of QTAIM Atomic Properties of Amino Acid Side Chains with Experiment

  • Molecular Complementarity

  • Closing Remarks

  • Appendix A X-Ray and Neutron Diffraction Geometries of the Amino Acids in the Literature

  • References