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Author(s):
Sheu, Sheh-Yi; Schlag, E. W.; Selzle, H. L.; Yang, Dah-Yen 
Title:
Molecular Dynamics of Hydrogen Bonds in Protein-D2O: The Solvent Isotope Effect 
Abstract:
We suggest that the H-bond in proteins not only mirrors the motion of hydrogen in its own atomistic setting but also finds its origin in the collective environment of the hydrogen bond in a global lattice of surrounding H2O mols. This water lattice is being perturbed in its optimal entropic configuration by the motion of the H-bond. Furthermore, bonding interaction with the lattice drop the H-bond energy from some 5 kcal/mol for the pure protein in the absence of H2O, to some 1.6 kcal/mol in the...    »
 
Keywords:
Isotope effect (deuterium mol. dynamics of hydrogen bonds in protein-D2O and the solvent isotope effect) Activation entropy Hydrogen bond Molecular dynamics (mol. dynamics of hydrogen bonds in protein-D2O and the solvent isotope effect) Proteins Role: BSU (Biological study, unclassified), PRP (Properties), BIOL (Biological study) (mol. dynamics of hydrogen bonds in protein-D2O and the solvent isotope effect) mol dynamics hydrogen bond protein water deuterium isotope effect 
Congress title:
CAN 148:208556 6-3 General Biochemistry Department of Life Sciences, National Yang-Ming University, Taipei, Taiwan. Journal 1089-5639 7789-20-0 (Water-d2) Role: BSU (Biological study, unclassified), PRP (Properties), BIOL (Biological study) (mol. dynamics of hydrogen bonds in protein-D2O and the solvent isotope effect) 
Journal title:
J. Phys. Chem. A 
Year:
2008 
Journal volume:
112 
Journal issue:
Pages contribution:
797-802 
Fulltext / DOI:
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