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cond-mat.soft2024★ 9 cited
The surface tension of Martini 3 water mixtures
Lorenzo Iannetti, Sonia Cambiaso, Fabio Rasera +4
The Martini model, a coarse-grained forcefield for biomolecular simulations, has experienced a vast increase in popularity in the past decade. Its building-block approach balances…
cond-mat.soft2023
Local grafting heterogeneities control water intrusion and extrusion in nanopores
Sonia Cambiaso, Fabio Rasera, Antonio Tinti +4
Hydrophobic nanoporous materials can be intruded by water only by exerting an external action, typically increasing pressure. For some materials, water extrudes when the pressure i…
cond-mat.soft2018
Accelerated Atomistic Simulations of a Supramolecular Polymer in Water
Davide Bochicchio, Giovanni M. Pavan
All-atom molecular dynamics has been recently proven a useful tool for the study of supramolecular polymers. While the high resolution offered by the atomistic models may allow for…