Eda Çapkın

A public crystallographic structure and affinity dataset for enteroviral 2A protease (925 binding events, 699 compounds), with docking, cofolding and screening baselines. Fragment fine-tuning of OpenFold3-p2 improves follow-on predictions.

The paper identifies fragment binders and mutationally intolerant sites in Zika virus NS2B-NS3 protease to develop resistance-resilient antiviral inhibitors.

This paper combines crystallographic fragment screening, algorithmic merging, and automated synthesis to generate scaffolds targeting NCS-1 PPIs involved in neurological disorders.

The paper identifies chemical fragments targeting the Chikungunya virus nsP3 macrodomain through crystallographic screening, revealing novel binding sites and potential inhibitors.