Data for: "Unraveling the impact of high-order silk structures on molecular drug binding and release behaviors"



The aim of the study was to investigate amorphous and crystalline silk structures in water using advanced well-tempered metadynamics simulations. In addition, the classical molecular dynamics simulations were also used to monitor drug binding and release in a neutral and acidic condition.

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Date made available10 Jul 2019
PublisherUniversity of Strathclyde

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