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- W1991454787 abstract "The structural entropy E of a molecular structure is ln[N(N−1)(N−2)/2V], V = Πi max(li), where N denotes the total number of atoms and max(li) is the maximum distance between two atoms in the direction of the i component of molecular occupied space. The correlation fractal dimension of molecular structure is given by Dq = limϵ → 0 [lnCq(ϵ)/lnϵ], where Cq(ϵ) represents the q-order correlation integral. The E and D2 values of 30 proteins selected from The Protein Data Bank are calculated using the above definitions. The structural entropy tends to decrease as the atomic number increases; thus E is a new measure different from thermodynamic entropy. The D2 value of structural class α of a protein is the largest since there is only α-helix structure in the α class. We have studied the Dq-q spectrum of carboxypeptidase A and found two discontinuous transitions qc = −1 and qc = 2.5, corresponding to long-range and short-range interactions respectively." @default.
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- W1991454787 date "1994-10-01" @default.
- W1991454787 modified "2023-09-27" @default.
- W1991454787 title "Structural entropy and correlation dimension for a biological macromolecule" @default.
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- W1991454787 doi "https://doi.org/10.1016/0009-2614(94)01033-1" @default.
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