All-atom REMD simulation of poly-N-isopropylacrylamide thermodynamics in water: a model with a distinct 2-state behavior

Vladimir Palivec, Denis Zadrazil, Jan Heyda

Poly-N-isopropylacrylamide (PNIPAM) is a thermoresponsive polymer, an essential building block of a large family of soft smart materials. In neat water it undergoes upon heating at…