Structure and dynamics of single hydrophobic/ionic heteropolymers at the vapor-liquid interface of water.

Abstract

We focus on the conformational stability, structure, and dynamics of hydrophobic/charged homopolymers and heteropolymers at the vapor-liquid interface of water using extensive molecular dynamics simulations. Hydrophobic polymers collapse into globular structures in bulk water but unfold and sample a broad range of conformations at the vapor-liquid interface… (More)
DOI: 10.1021/la500237u

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