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Vibrational free energy, entropy, and temperature factors of DNA calculated by a helix lattice approach
Author(s) -
Girirajan K. S.,
Young L.,
Prohofsky E. W.
Publication year - 1989
Publication title -
biopolymers
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.556
H-Index - 125
eISSN - 1097-0282
pISSN - 0006-3525
DOI - 10.1002/bip.360281102
Subject(s) - chemistry , molecule , thermodynamics , entropy (arrow of time) , enthalpy , lattice (music) , dna , helix (gastropod) , molecular physics , physics , ecology , biochemistry , organic chemistry , biology , snail , acoustics
The vibrational contribution to the free energy, entropy, and the temperature factors of the different atoms in the unit cell are calculated using the method of helix lattice dynamics for the DNA homopolymer poly(dG · poly(dC)) in the B conformation. These results are compared to other theoretical calculations and the temperature ( B ) factors are compared to experiment as well. The problems encountered in using small molecule approximations to describe B factors in DNA like long chain molecules are discussed and a corrected estimate of the temperature factors are presented. Significant differences are found between the different theoretical approaches as reflected in the results of temperature factor calculations.