Computational Exploration in Search for Novel Natural Product-Derived EZH2 Inhibitors for Advancing Anti-Cancer Therapy.
收藏NIAID Data Ecosystem2026-05-02 收录
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https://zenodo.org/record/14725626
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资源简介：
This repository is an supplementory material for "Computational Exploration in Search for Novel Natural Product-Derived EZH2 Inhibitors for Advancing Anti-Cancer Therapy".
The repository consists of:
The docked protein ligand complexes of the best natural product hits with EZH2 protein.
MD raw files for the best performing hit LTS0131784 and Tazemetostat are also attached.
FEL data in CSV and its 3D surface ploting in jupyter notebook
创建时间：
2025-01-23
