Ion Transport through Membrane-Spanning Nanopores Studied by Molecular Dynamics Simulations and Continuum Electrostatics Calculations

Dynamics of water molecules buried in ca

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

✍ Martine Prévost 📂 Article 📅 2004 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 444 KB 👁 2 views

## Abstract 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. These crystal water molecules are fairly well conserved in several apolipopr