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Fragalysis Example Data (PHIPA)

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Example data for fragalysis uploads

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创建时间：

2021-06-10

Molecular docking of flavonoids as potential inhibitors of protease and helicase domains of dengue and Zika viruses

DataCite Commons2025-04-01 更新130

Torsion Tables. a) 6M0J Vina Autodock results, b) 6WKP Vina Autodock results.

Figshare2020-05-19 更新70

Additional file 5: Table S4. Candidate targets of COVID-19.

NIAID Data Ecosystem60

Results of covalent docking between beta lactam antibiotics and selected PBPs of Gram negative bacteria.

NIAID Data Ecosystem80

Binding energies (kcal/mol) calculated with MMFF force field of drug-tabun-conjugated-AChE complexes.

NIAID Data Ecosystem60