Title : Dynamics of water molecules buried in cavities of apolipoprotein E studied by molecular dynamics simulations and continuum electrostatic calculations.

Pub. Date : 2004 Oct 5

PMID : 15356873






3 Functional Relationships(s)
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1 Dynamics of water molecules buried in cavities of apolipoprotein E studied by molecular dynamics simulations and continuum electrostatic calculations. Water apolipoprotein E Homo sapiens
2 Molecular dynamics (MD) simulations of several nanoseconds each were used to monitor the dynamic behavior of the five crystal water molecules buried in the interior of the N-terminal domain of apolipoprotein E. Water apolipoprotein E Homo sapiens
3 These crystal water molecules are fairly well conserved in several apolipoprotein E structures, suggesting that they are not an artifact of the crystal and that they may have a structural and/or functional role for the protein. Water apolipoprotein E Homo sapiens