Molecular modeling using Molecular Dynamics and Coarse-grained models of hydrogel structural and transport properties
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Natural hydrogels are a specific group of functional materials, that are gaining more and more applicability in various fields. The most important ones include: medicine, tissue engineering, pharmacy, diagnostics, food industry, cosmetics as well as gardening and agriculture. In the study we show state-of-the-art molecular dynamics calculations of gelatine matrices and present methodology of relating the chemical comoposition of such structures with swelling, transport and mechanical properties.
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