Promiscuity and quantitative contribution of UGT2B17 in drug and steroid metabolism determined by experimental and computational approaches
收藏NIAID Data Ecosystem2026-05-01 收录
下载链接：
https://zenodo.org/record/7963698
下载链接
链接失效反馈官方服务：
资源简介：
Input and parameter files used for the publication "Promiscuity and quantitative contribution of UGT2B17 in drug and steroid metabolism determined by experimental and computational approaches"
#1. Smile notations of UGT2B17 substrates and non-substrates
#2. Pharmacophore(.ph4) hypothesis files for representative compounds; Dicofenac, vorinostat and carvedilol.
#3. Simulation input files - topology and molecular dynamics parameters (Vorinostat as a representative example).
创建时间：
2023-05-25
