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NMTrypI - New Medicines for Trypanosomatidic Infections

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Docking results of pteridine-based compounds in different target PTR1 and DHFR receptors and the off-target human DHFR when using an induced fit docking routine with an initial crude ligand placement step, subsequent receptor optimization in response to ligand binding and another docking step into the optimized receptor.

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: Leishmania major, Trypanosoma brucei

Models: No Models

SOPs: Induced fit docking with Glide and Prime as par...

Data files: PDB files of induced fit docking results for se..., PDB files of induced fit docking results for se..., PDB files of induced fit docking results for se..., PDB files of induced fit docking results for se..., PDB files of induced fit docking results for th..., PDB files of induced fit docking results for th..., PDB files of induced fit docking results for th..., PDB files of induced fit docking results for th...

Snapshots: No snapshots

Created: 22nd Aug 2020 at 09:50, Last updated: 30th Sep 2020 at 10:03

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