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- W1013090239 endingPage "526" @default.
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- W1013090239 abstract "This chapter provides an overview of the quantum–mechanical work done in conformation of amino acid residues of proteins with the double objective of comparing the results with those of the previous empirical computations and with the constantly and rapidly increasing amount of experimental data. The most extensive applications have been in the field of proteins and their constituents, which exhibit the most significant conformational problems in biochemistry. The conformational properties of amino acid residues and polypeptides may be classified into three categories corresponding broadly to successive stages of development and refinement, and include—(1) empirical computations in the hard sphere approximation, (2) empirical computations in the partitioned potential energy approximation, and (3) quantum–mechanical computations. The best procedure, which allows the determination of the individual molecular orbitals, is the self-consistent field method. In the great majority of theoretical studies—whether empirical or quantum–mechanical—on the conformational properties of polypeptides, proteins, and their constituents the peptide bond has been considered as planar and trans; however, new developments in a number of directions have increased the interest of taking into consideration the possible nonplanarity of the peptide bonds." @default.
- W1013090239 created "2016-06-24" @default.
- W1013090239 creator A5046273554 @default.
- W1013090239 creator A5046449231 @default.
- W1013090239 date "1974-01-01" @default.
- W1013090239 modified "2023-10-03" @default.
- W1013090239 title "Molecular Orbital Calculations on the Conformation of Amino Acid Residues of Proteins" @default.
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