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

Dataset

Description

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.

Due to the size of this dataset (600GB) it is not available for download. For access please use the contact email listed on this page.
Date made available10 Jul 2019
PublisherUniversity of Strathclyde

Cite this

Wongpinyochit, T. (Creator), Vassileiou, A. (Creator), Gupta, S. (Creator), Mushrif, S. H. (Creator), Johnston, B. (Creator), Seib, P. (Creator). (10 Jul 2019). Data for: "Unraveling the impact of high-order silk structures on molecular drug binding and release behaviors". University of Strathclyde. 10.15129/0b02b064-22f0-4d4e-89da-34b125ec5e52