Exploring the structural transition mechanisms of a pair of poly(N-isopropylacrylamide) chains in aqueous solution through coarse-grained molecular simulations coupled with metadynamics
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DOI: 10.1080/08927022.2021.1881086
Abstract: ABSTRACT Thermo-responsive polymers can experience the coil-to-globule transition with the temperature increases through the lower critical solution temperature (LCST). In this work, the coarse-grained molecular dynamics and Metadynamics (MetaD) are employed to investigate the dynamics… read more here.
Keywords: pair poly; poly isopropylacrylamide; solution; grained molecular ... See more keywords