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In this article we introduce the MARTINI model of a widely usedthermoresponsive polymer, Poly(N-isopropylacrylamide). Importantly, our modeltakes into account polymer's stereoregularity (i.e. tacticity). We highlightthe effect of changing the polarity of coarse-grained particles comprising thepolymer on its ability to exhibit a temperature-dependent coil-to-globuletransition. Our approach allows to study the behavior of thermoresponsivepolymers at large time and length scales.

Modelling of thermosensitive stereoregular polymers within MARTINI coarse-grained force-field: poly(N-isopropylacrylamide) as a benchmark case