Modelling of reversible single chain polymer self-assembly: from the polymer towards the protein limit.
The thermodynamic properties of reversible single chain polymer self-assembly are characterized by all-atom simulations. The ensemble of closed chains collapses from multiple conformations for long chains to nearly unique conformations for shorter chains, suggesting that the engineered polymers can fold into stable unique conformations at moderate temperatures.
Institute of Nanotechnology (INT), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany. wolfgang.wenzel@kit.edu.
Denis
D
Danilov
Christopher
C
Barner-Kowollik
Wolfgang
W
Wenzel
D008968:Molecular Conformation; D056004:Molecular Dynamics Simulation; D011137:Polystyrenes / Q000737:chemistry*; D013499:Surface Properties; D013696:Temperature; D013816:Thermodynamics
D011137:Polystyrenes