Back to Publications

Elasticity of swollen and folded polyacrylamide hydrogel using the MARTINI coarse-grained model

Seunghyok Rho, Heeyuen Koh, Ji Woong Yu, Hye Been Koo, Sebin Kim, Je-Yeon Jung, EunYeong Jung, Chongyong Nam, Jae Young Lee, Kyounghwa Jeon, Jae-Byum Chang*, Do-Nyun Kim*, Won Bo Lee*

ACS Applied Materials & InterfacesVol. 17, No. 3, pp. 5340-5351202510.1021/acsami.4c18162

[Hydrogel]

Abstract

Atomistic simulations inform a coarse-grained model, which groups atoms into larger interaction sites, for polyacrylamide hydrogels. The model links strand shape and contacts within and between strands to network elasticity.