Data for: "A multifunctional drug delivery system based on switchable peptide-stabilized emulsions"
收藏DataCite Commons2024-02-23 更新2024-07-13 收录
下载链接：
https://pureportal.strath.ac.uk/en/datasets/edc06de3-4e78-4721-ba8d-1d81a748f1ff
下载链接
链接失效反馈官方服务：
资源简介：
Coarse-grained molecular dynamics data associated with peptide emulsions (CGMD.tar.gz), all-atom molecular dynamics simulation data associated with dihedral measurements with and without the presence of ions (All-Atom.tar.gz) and DFT data for peptide - ion binding (DFT.tar.gz).
Coarse-grained and all-atom molecular dynamics were created using the GROMACS software with the MARTINI and AMBER forcefields package while DFT data was obtained at wB97X/def2-TZVP level of theory using the ORCA software package.
提供机构：
University of Strathclyde
创建时间：
2024-02-23
