Hydrogen bonding structure and dynamics of water at the dimyristolyphosphatidylcholine lipid bilayer surface from a molecular dynamics simulation

Article Abstract:

The structural and dynamical hydrogen bonding features at the lipid water interface from a 10 ns molecular dynamics simulation of a hydrated dimyristoylphosphatidycholine (DMPC) liquid bilayer is presented. The result reveals that the average number of hydrogen bonds per lipid oxygen atom varies depending on its position within the lipid.

Hydrogen bonding, Hydrogen bonds, Chemistry, Physical and theoretical, Physical chemistry, Lipid membranes, Dyclonine

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Molecular dynamics study of the beta amyloid peptide of Alzheimer's disease and its divalent copper complexes

Article Abstract:

The amyloid [beta] 1-42 (A[beta]1-42) monomer structure is assessed with a 790 ns molecular dynamics (MD) simulation. The results of the Cu(II)/A[beta]1-42 systems are compared with that of Cu(II)-free A[beta]1-42 simulation.

Science & research, Research, Alzheimer's disease, Molecular dynamics, Amyloid beta-protein

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