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Author(s):
Sheu, Sheh-Yi; Selzle, H. L.; Schlag, E. W.; Yang, Dah-Yen 
Title:
The effect of entropy on protein hydrogen bonds 
Abstract:
Hydrogen bonds are essential elements in protein structure and dynamics. We show that such bonds are strongly dominated by entropic contributions of the environment that can be at least as important as energetic considerations. These contributions are global in that they are not due to the internal degrees of freedom. The mol. dynamics (MD) is carried out as a computer expt. and agrees very well with the known energies of hydrogen bonds, both in water and in the isolated mol. The entropy in wate...    »
 
Keywords:
Statistical mechanics (degrees of freedom effect of entropy on protein hydrogen bonds) Entropy Hydration reaction α-Helix β-Sheet (effect of entropy on protein hydrogen bonds) Proteins Role: BSU (Biological study, unclassified), PEP (Physical, engineering or chemical process), PRP (Properties), BIOL (Biological study), PROC (Process) (effect of entropy on protein hydrogen bonds) Hydrogen bond (intramol. effect of entropy on protein hydrogen bonds) Simulation and Modeling (mol. dynamics effect of...    »
 
Congress title:
CAN 149:349594 6-3 General Biochemistry Department of Life Sciences and Institute of Genomics Sciences, National Yang-Ming University, Taipei, Taiwan. Journal 0009-2614 7732-18-5 (Water); 7789-20-0 (Water-d2) Role: BSU (Biological study, unclassified), BIOL (Biological study) (effect of entropy on protein hydrogen bonds) 
Journal title:
Chem. Phys. Lett. 
Year:
2008 
Journal volume:
462 
Journal issue:
1-3 
Pages contribution:
1-5