Water and Biological MacromoleculesWesthof Water and Biological Macromolecules presents an excellent description of the structural aspects of water molecules around biological macromolecules. Topics discussed include the properties of water in solid and liquid states; proteins, nucleic acids, polysaccharides, and lipids; and theoretical approaches for understanding the macroscopic observations and integrating microscopic descriptions. The nature and roles of hydration forces in macromolecular complexation and cell-cell interactions are explained, in addition to phenomena such as entropy-enthalpy compensation and the thermodynamic treatment of water bridging. Water and Biological Macromolecules will be a valuable reference for biophysicists, biochemists, and macromolecular biologists. |
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Page 167
... simulation , molecular dynamics ( MD ) . An article in a previous volume of this series ( Olson , 1982c ) provided a comprehensive view of theoretical studies on DNA structure about 1982 , emphasizing potential energy functions , energy ...
... simulation , molecular dynamics ( MD ) . An article in a previous volume of this series ( Olson , 1982c ) provided a comprehensive view of theoretical studies on DNA structure about 1982 , emphasizing potential energy functions , energy ...
Page 171
... MD simulation has recently been used in both of these areas , and the intrinsic accuracy of the MD is a major point of concern . Thus , a ... simulation into free energy determinations ( Molecular Dynamics Simulations of DNA Oligomers 171.
... MD simulation has recently been used in both of these areas , and the intrinsic accuracy of the MD is a major point of concern . Thus , a ... simulation into free energy determinations ( Molecular Dynamics Simulations of DNA Oligomers 171.
Page 172
... MD particularly relevant to DNA have also been reviewed recently ( Beveridge et al . , 1991 ) . The analysis of MD ... simulation . Thus , the stability of the simulation and the nature of the dynamical model can be analysed rigorously ...
... MD particularly relevant to DNA have also been reviewed recently ( Beveridge et al . , 1991 ) . The analysis of MD ... simulation . Thus , the stability of the simulation and the nature of the dynamical model can be analysed rigorously ...
Contents
Water structure | 3 |
Thermodynamic and dynamic properties of water | 45 |
Aqueous solutions of simple hydrophobic solutes | 55 |
Copyright | |
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Acta Cryst analysis anionic aqueous atoms B-DNA B-form backbone base pairs Beveridge binding Biochemistry Biochim Biol Biomol Biophys Biopolymers calculations Cevc chain Chem Clementi complex conformation counterions crystal structure crystalline crystallographic d(CGCGAATTCGCG density distance dodecamer electron electrostatic Equation experimental Figure force field free energy function Gibbs energy Goodfellow H-bond helix hydration hydration forces hydration shell hydrogen bonds hydrophilic hydrophobic ice Ih interactions interfacial ions lipid bilayers lipid headgroups liquid macromolecules MD simulation membrane minor groove mJ/m² molecular dynamics Molecular dynamics simulation Monte Carlo neutron diffraction nucleic acids nucleotide orientation oxygen phase phosphate groups phosphatidylcholine phospholipid Phys polar polymer polysaccharides potential refinement region relaxation repulsive residues resolution Saenger side-chains solution solvation solvation Gibbs energy solvent solvent molecules solvent structure ẞ-sheet stability Struct studies surface temperature tion water bridges water molecules water structure Westhof X-ray Z-DNA