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Compound data, library construction schemes and preparation routine for small drug-like molecules as ligands in docking and for further analysis.

Submitter: Ina Poehner

Biological problem addressed: Model Analysis Type

Investigation: Pteridines as anti-kinetoplastid folate-pathway...

Study: Docking to PTR1 and DHFR targets and off-targets

Organisms: No organisms

Models: No Models

SOPs: Ligand 3D structure preparation SOP

Data files: Fragments used for construction of the in silic..., SDF files of protonated pteridine compounds, SMILES strings for resynthesized and newly desi...

Snapshots: No snapshots

Created: 22nd Aug 2020 at 09:19, Last updated: 30th Sep 2020 at 10:03