Figure 3
From: Molecular dynamics simulations on aqueous two-phase systems - Single PEG-molecules in solution
Surface hydrophobicity and structural attributes. (a): Surface hydrophobic fraction of artificially constructed perfectly helical, perfectly linear PEGs and results of the MD simulations over PEG chain length. (b)-(d): factors influencing surface hydrophobicity over PEG chain length with (b): CC dihedral angle, (c): helicality, (d): ratio of CC dihedrals in gauche conformations. (e) solvent accessible volumes of the PEG molecules determined from MD simulations over the corresponding volume of perfectly helical molecules