Vibrational free energy, entropy, and temperature factors of DNA calculated by a helix lattice approach

Biopolymers ◽  
1989 ◽  
Vol 28 (11) ◽  
pp. 1841-1860 ◽  
Author(s):  
K. S. Girirajan ◽  
L. Young ◽  
E. W. Prohofsky
Keyword(s):  
Free Energy ◽  
Energy Entropy ◽  
Vibrational Free Energy ◽  
Temperature Factors ◽  
Lattice Approach

scholarly journals HIGH-TEMPERATURE FREE ENERGY, ENTROPY, ENTHALPY AND HEAT CAPACITY OF THORIUM SULFATE1

1960 ◽  
Vol 64 (7) ◽  
pp. 911-914 ◽  
Author(s):  
S. W. Mayer ◽  
B. B. Owens ◽  
T. H. Rutherford ◽  
R. B. Serrins
Keyword(s):  
Heat Capacity ◽  
Free Energy ◽  
High Temperature ◽  
Energy Entropy

scholarly journals Dynamic allostery of protein alpha helical coiled-coils

2005 ◽  
Vol 3 (6) ◽  
pp. 125-138 ◽  
Author(s):  
Rhoda J Hawkins ◽  
Tom C.B McLeish
Keyword(s):  
Free Energy ◽  
Ligand Binding ◽  
Molecular Motor ◽  
Coiled Coil ◽  
Coiled Coils ◽  
Coarse Grained ◽  
Static Structure ◽  
Change In The Mean ◽  
The Individual ◽  
Vibrational Free Energy

Alpha helical coiled-coils appear in many important allosteric proteins such as the dynein molecular motor and bacteria chemotaxis transmembrane receptors. As a mechanism for transmitting the information of ligand binding to a distant site across an allosteric protein, an alternative to conformational change in the mean static structure is an induced change in the pattern of the internal dynamics of the protein. We explore how ligand binding may change the intramolecular vibrational free energy of a coiled-coil, using parameterized coarse-grained models, treating the case of dynein in detail. The models predict that coupling of slide, bend and twist modes of the coiled-coil transmits an allosteric free energy of ∼2 k B T , consistent with experimental results. A further prediction is a quantitative increase in the effective stiffness of the coiled-coil without any change in inherent flexibility of the individual helices. The model provides a possible and experimentally testable mechanism for transmission of information through the alpha helical coiled-coil of dynein.

scholarly journals Static and lattice vibrational energy differences between polymorphs

CrystEngComm ◽  
2015 ◽  
Vol 17 (28) ◽  
pp. 5154-5165 ◽  
Author(s):  
Jonas Nyman ◽  
Graeme M. Day
Keyword(s):  
Free Energy ◽  
Vibrational Energy ◽  
Lattice Energy ◽  
Energy Entropy

Lattice energy, entropy and free energy differences for over 500 pairs of known polymorphs are computed and discussed.

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