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Formulated products are created by mixing various ingredients together. They are commercially produced for drugs, cosmetics, cleaning agents, lubricants and many others. The design of formulated products is diverse and multidisciplinary in nature; physico-chemical properties, product microstructure, product quality, and all other related areas have to be considered integratively. Various types of...
In this article, we introduce and apply our de novo protein design framework, which observes true backbone flexibility, to the redesign of human β-defensin-2, a 41-residue cationic antimicrobial peptide of the innate immune system. The flexible design templates are generated using molecular dynamics simulations with both Generalized Born implicit solvation and explicit water molecules. These backbone...
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