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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 treating ligands as flexible and the protein receptors as a rigid-body.

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: Rigid-body XP docking with Glide

Data files: PDB files of pteridine docking results in LmDHF..., PDB files of pteridine docking results in LmPTR..., PDB files of pteridine docking results in LmPTR..., PDB files of pteridine docking results in TbDHF..., PDB files of pteridine docking results in TbPTR..., PDB files of pteridine docking results in TbPTR..., PDB files of pteridine docking results in hDHFR..., PDB files of pteridine docking results in hDHFR...

Snapshots: No snapshots

Created: 22nd Aug 2020 at 09:48, Last updated: 30th Sep 2020 at 10:03

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