Electron Correlation in Quantum Molecular Biophysics: The Case Study of Hemocyanin
One of the most interesting problems of modern molecular biophysics is the study of the relationship between structure and function in proteins. The data base of proteins known at atomic resolutions (the Brookhaven Protein Data Base (PDB), release 19/9/1997) presently comprises 5900 structures, obtained from X ray diffraction patterns of ordered crystals or in some cases from twodimensional NMR spectroscopy. Well resolved structures include enzymes of several different type.
KeywordsActive Space Electron Correlation Configuration Interaction Potential Energy Curve Schroedinger Equation
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