USRCAT search with one of the OSDD Malaria compounds, OSM-S-35 . The SMILES strings were obtained by using chemicalize.org on the relevant OSDD blog post (http://malaria.ourexperiment.org/biol

DataCite Commons2020-09-05 更新30

Energetic and interaction-based filters used to harvest the most promising results from the ligand docking runs.

分子对接

虚拟筛选

Energetic and interaction-based filters used to harvest the most promising results from the ligand docking runs.

Figshare2015-12-02 更新50

The Database Screening Results by Different Structure-based and Ligand-based Pharmacophore Models.

虚拟筛选

药效团建模

The Database Screening Results by Different Structure-based and Ligand-based Pharmacophore Models.

Figshare2015-12-02 更新30

GOLD fitness values for top-scored docking solutions.

资源简介：

相关数据集