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Dataset for modeling of binding modes of xanthine derivatives as allosteric inhibitors of MTHFD2

<p>Dataset with structures from docking and MD simulation trajectories, and exploration of selectivity, of xanthine derived compounds targeting the allosteric site of MTHFD2 versus the isoform MTHFD1.&nbsp;</p>

ShareScore

32/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship
4
Harmonization
4
Access
16
Reuse readiness
8
Engagement
0