Dataset on Potential Biochemical Activities of Cylo phe-Ala-Asp-Gly-based Compounds as Caspase 1 Inhibitor
收藏NIAID Data Ecosystem2026-05-02 收录
下载链接：
https://data.mendeley.com/datasets/hn36p8mp4r
下载链接
链接失效反馈官方服务：
资源简介：
Seven Cylo Phe-Ala-Asp-Gly-based ligands were modeled and calculated using density functional theory method via B3LYP (6-31+G*) in Spartan '14. The compounds were accomplished in several phases, and the descriptors were displayed accordingly. The docking computation was performed using the induced fit approach for molecular docking research. The pharmacokinetic study of the molecule with the best binding affinity was carried out using ADMETSar 2.0, and all of the results were accurately reported.
创建时间：
2024-07-27
