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- W1520902007 abstract "Publisher Summary Nuclear magnetic resonance (NMR) is a significant tool in the determination of three-dimensional protein structures, driven by the advances in the multi-dimensional NMR techniques. These techniques exploit the nuclear overhauser effect (NOE) to extract distances between particular nuclei. These distances can then be used as constraints in conjunction with energy minimization to determine the native protein structure in the solution. This chapter describes the calculating chemical shifts in macromolecules and prediction of structural NMR shifts in respiratory proteins. Various approaches used are taken to calculate the structural shifts in macromolecules. Empirical relations for the experimentally observed chemical shifts in proteins of known structure are discussed in the chapter. Theoretical methods are developed; ab initio methods for calculation are limited to molecules that are quite small relative to proteins. Small changes in electronic structure are readily manifested in the chemical shielding. These small changes that result from non-covalent interactions, such as electrical perturbation, ring currents, and magnetic anisotropy can be described by the classical approaches. These long-range influences are also discussed in this chapter. However, variation in the covalent bonding, such as changes in bond lengths and bond angles, are described quantum mechanically. The property correlations in respiratory proteins are also discussed in this chapter." @default.
- W1520902007 created "2016-06-24" @default.
- W1520902007 creator A5075718702 @default.
- W1520902007 creator A5078767066 @default.
- W1520902007 date "1995-01-01" @default.
- W1520902007 modified "2023-10-11" @default.
- W1520902007 title "Calculation and Prediction of Structural Nmr Shifts in Respiratory Proteins" @default.
- W1520902007 cites W1491642680 @default.
- W1520902007 cites W1522540331 @default.
- W1520902007 cites W1541485157 @default.
- W1520902007 cites W1552953453 @default.
- W1520902007 cites W1886232811 @default.
- W1520902007 cites W1964072615 @default.
- W1520902007 cites W1964337872 @default.
- W1520902007 cites W1965698617 @default.
- W1520902007 cites W1965770916 @default.
- W1520902007 cites W1966554361 @default.
- W1520902007 cites W1967752929 @default.
- W1520902007 cites W1967846010 @default.
- W1520902007 cites W1969418502 @default.
- W1520902007 cites W1969479533 @default.
- W1520902007 cites W1971115119 @default.
- W1520902007 cites W1976094692 @default.
- W1520902007 cites W1976411647 @default.
- W1520902007 cites W1976444861 @default.
- W1520902007 cites W1979076196 @default.
- W1520902007 cites W1979350418 @default.
- W1520902007 cites W1980618545 @default.
- W1520902007 cites W1981761838 @default.
- W1520902007 cites W1982407551 @default.
- W1520902007 cites W1982680156 @default.
- W1520902007 cites W1984124220 @default.
- W1520902007 cites W1985339961 @default.
- W1520902007 cites W1986267673 @default.
- W1520902007 cites W1987602834 @default.
- W1520902007 cites W1988907341 @default.
- W1520902007 cites W1988982985 @default.
- W1520902007 cites W1989044202 @default.
- W1520902007 cites W1992402386 @default.
- W1520902007 cites W1992568801 @default.
- W1520902007 cites W1992933392 @default.
- W1520902007 cites W1993138178 @default.
- W1520902007 cites W1995377855 @default.
- W1520902007 cites W1997345726 @default.
- W1520902007 cites W1997846480 @default.
- W1520902007 cites W1999982618 @default.
- W1520902007 cites W2000695513 @default.
- W1520902007 cites W2001131304 @default.
- W1520902007 cites W2003315405 @default.
- W1520902007 cites W2003760750 @default.
- W1520902007 cites W2007100748 @default.
- W1520902007 cites W2007854196 @default.
- W1520902007 cites W2010785223 @default.
- W1520902007 cites W2012745039 @default.
- W1520902007 cites W2014027339 @default.
- W1520902007 cites W2014618905 @default.
- W1520902007 cites W2015458994 @default.
- W1520902007 cites W2016747833 @default.
- W1520902007 cites W2019572128 @default.
- W1520902007 cites W2021513160 @default.
- W1520902007 cites W2021879059 @default.
- W1520902007 cites W2022495401 @default.
- W1520902007 cites W2022872572 @default.
- W1520902007 cites W2023582010 @default.
- W1520902007 cites W2024781935 @default.
- W1520902007 cites W2025215373 @default.
- W1520902007 cites W2027984655 @default.
- W1520902007 cites W2028972596 @default.
- W1520902007 cites W2029839023 @default.
- W1520902007 cites W2030901966 @default.
- W1520902007 cites W2031292508 @default.
- W1520902007 cites W2031335255 @default.
- W1520902007 cites W2034574829 @default.
- W1520902007 cites W2035145873 @default.
- W1520902007 cites W2035147507 @default.
- W1520902007 cites W2035796482 @default.
- W1520902007 cites W2036271146 @default.
- W1520902007 cites W2036440189 @default.
- W1520902007 cites W2038759249 @default.
- W1520902007 cites W2039060199 @default.
- W1520902007 cites W2039441626 @default.
- W1520902007 cites W2039861717 @default.
- W1520902007 cites W2041538749 @default.
- W1520902007 cites W2042489327 @default.
- W1520902007 cites W2044573796 @default.
- W1520902007 cites W2045353104 @default.
- W1520902007 cites W2045950270 @default.
- W1520902007 cites W2048025168 @default.
- W1520902007 cites W2049843412 @default.
- W1520902007 cites W2050179690 @default.
- W1520902007 cites W2051125382 @default.
- W1520902007 cites W2051529499 @default.
- W1520902007 cites W2054164390 @default.
- W1520902007 cites W2055846912 @default.
- W1520902007 cites W2057044982 @default.
- W1520902007 cites W2057224549 @default.
- W1520902007 cites W2057936594 @default.
- W1520902007 cites W2061620672 @default.
- W1520902007 cites W2061826297 @default.
- W1520902007 cites W2062340785 @default.